[(1R,2R)-2-aminocyclopentyl]methanol;4-chloro-N-[(4-cyanophenyl)methyl]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide

C81H95Cl4N9O15S4 — CID 161208555

IUPAC[(1R,2R)-2-aminocyclopentyl]methanol;4-chloro-N-[(4-cyanophenyl)methyl]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide
SMILESN#Cc1ccc(CN([C@@H]2CCC[C@H]2CO)S(=O)(=O)c2ccc(Cl)cc2)cc1.N[C@@H]1CCC[C@H]1CO.O=S(=O)(N[C@@H]1CCC[C@H]1CO)c1ccc(Cl)cc1.O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(-c2ncco2)cc1)[C@@H]1CCC[C@H]1CO.O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(-c2ncon2)cc1)[C@@H]1CCC[C@H]1CO
InChIInChI=1S/C22H23ClN2O4S.C21H22ClN3O4S.C20H21ClN2O3S.C12H16ClNO3S.C6H13NO/c23-19-8-10-20(11-9-19)30(27,28)25(21-3-1-2-18(21)15-26)14-16-4-6-17(7-5-16)22-24-12-13-29-22;22-18-8-10-19(11-9-18)30(27,28)25(20-3-1-2-17(20)13-26)12-15-4-6-16(7-5-15)21-23-14-29-24-21;21-18-8-10-19(11-9-18)27(25,26)23(20-3-1-2-17(20)14-24)13-16-6-4-15(12-22)5-7-16;13-10-4-6-11(7-5-10)18(16,17)14-12-3-1-2-9(12)8-15;7-6-3-1-2-5(6)4-8/h4-13,18,21,26H,1-3,14-15H2;4-11,14,17,20,26H,1-3,12-13H2;4-11,17,20,24H,1-3,13-14H2;4-7,9,12,14-15H,1-3,8H2;5-6,8H,1-4,7H2/t18-,21+;2*17-,20+;9-,12+;5-,6+/m00000/s1
InChIKeyUVXVKYNZSRBAPO-UQJBLCCASA-N
MW1704.78 g/mol
LogP13.54
Rot. Bonds25

About [(1R,2R)-2-aminocyclopentyl]methanol;4-chloro-N-[(4-cyanophenyl)methyl]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide

[(1R,2R)-2-aminocyclopentyl]methanol;4-chloro-N-[(4-cyanophenyl)methyl]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 161208555) has the molecular formula C81H95Cl4N9O15S4 and a molecular weight of 1704.78 g/mol. Its IUPAC name is [(1R,2R)-2-aminocyclopentyl]methanol;4-chloro-N-[(4-cyanophenyl)methyl]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name[(1R,2R)-2-aminocyclopentyl]methanol;4-chloro-N-[(4-cyanophenyl)methyl]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide
PubChem CID161208555
Molecular FormulaC81H95Cl4N9O15S4
Molecular Weight1704.78 g/mol
Exact Mass1701.46
IUPAC Name[(1R,2R)-2-aminocyclopentyl]methanol;4-chloro-N-[(4-cyanophenyl)methyl]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide
SMILESN#Cc1ccc(CN([C@@H]2CCC[C@H]2CO)S(=O)(=O)c2ccc(Cl)cc2)cc1.N[C@@H]1CCC[C@H]1CO.O=S(=O)(N[C@@H]1CCC[C@H]1CO)c1ccc(Cl)cc1.O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(-c2ncco2)cc1)[C@@H]1CCC[C@H]1CO.O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(-c2ncon2)cc1)[C@@H]1CCC[C@H]1CO
InChIInChI=1S/C22H23ClN2O4S.C21H22ClN3O4S.C20H21ClN2O3S.C12H16ClNO3S.C6H13NO/c23-19-8-10-20(11-9-19)30(27,28)25(21-3-1-2-18(21)15-26)14-16-4-6-17(7-5-16)22-24-12-13-29-22;22-18-8-10-19(11-9-18)30(27,28)25(20-3-1-2-17(20)13-26)12-15-4-6-16(7-5-15)21-23-14-29-24-21;21-18-8-10-19(11-9-18)27(25,26)23(20-3-1-2-17(20)14-24)13-16-6-4-15(12-22)5-7-16;13-10-4-6-11(7-5-10)18(16,17)14-12-3-1-2-9(12)8-15;7-6-3-1-2-5(6)4-8/h4-13,18,21,26H,1-3,14-15H2;4-11,14,17,20,26H,1-3,12-13H2;4-11,17,20,24H,1-3,13-14H2;4-7,9,12,14-15H,1-3,8H2;5-6,8H,1-4,7H2/t18-,21+;2*17-,20+;9-,12+;5-,6+/m00000/s1
InChIKeyUVXVKYNZSRBAPO-UQJBLCCASA-N
XLogP13.54
TPSA374.22 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001704.78
LogP ≤ 513.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze [(1R,2R)-2-aminocyclopentyl]methanol;4-chloro-N-[(4-cyanophenyl)methyl]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-aminocyclopentyl]methanol;4-chloro-N-[(4-cyanophenyl)methyl]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of [(1R,2R)-2-aminocyclopentyl]methanol;4-chloro-N-[(4-cyanophenyl)methyl]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide (CID 161208555) is [(1R,2R)-2-aminocyclopentyl]methanol;4-chloro-N-[(4-cyanophenyl)methyl]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for [(1R,2R)-2-aminocyclopentyl]methanol;4-chloro-N-[(4-cyanophenyl)methyl]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for [(1R,2R)-2-aminocyclopentyl]methanol;4-chloro-N-[(4-cyanophenyl)methyl]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide is N#Cc1ccc(CN([C@@H]2CCC[C@H]2CO)S(=O)(=O)c2ccc(Cl)cc2)cc1.N[C@@H]1CCC[C@H]1CO.O=S(=O)(N[C@@H]1CCC[C@H]1CO)c1ccc(Cl)cc1.O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(-c2ncco2)cc1)[C@@H]1CCC[C@H]1CO.O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(-c2ncon2)cc1)[C@@H]1CCC[C@H]1CO.
What is the InChIKey of [(1R,2R)-2-aminocyclopentyl]methanol;4-chloro-N-[(4-cyanophenyl)methyl]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is UVXVKYNZSRBAPO-UQJBLCCASA-N. The full InChI is InChI=1S/C22H23ClN2O4S.C21H22ClN3O4S.C20H21ClN2O3S.C12H16ClNO3S.C6H13NO/c23-19-8-10-20(11-9-19)30(27,28)25(21-3-1-2-18(21)15-26)14-16-4-6-17(7-5-16)22-24-12-13-29-22;22-18-8-10-19(11-9-18)30(27,28)25(20-3-1-2-17(20)13-26)12-15-4-6-16(7-5-15)21-23-14-29-24-21;21-18-8-10-19(11-9-18)27(25,26)23(20-3-1-2-17(20)14-24)13-16-6-4-15(12-22)5-7-16;13-10-4-6-11(7-5-10)18(16,17)14-12-3-1-2-9(12)8-15;7-6-3-1-2-5(6)4-8/h4-13,18,21,26H,1-3,14-15H2;4-11,14,17,20,26H,1-3,12-13H2;4-11,17,20,24H,1-3,13-14H2;4-7,9,12,14-15H,1-3,8H2;5-6,8H,1-4,7H2/t18-,21+;2*17-,20+;9-,12+;5-,6+/m00000/s1.
What are the key properties of [(1R,2R)-2-aminocyclopentyl]methanol;4-chloro-N-[(4-cyanophenyl)methyl]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide?
[(1R,2R)-2-aminocyclopentyl]methanol;4-chloro-N-[(4-cyanophenyl)methyl]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 1704.78 g/mol, XLogP of 13.54, 25 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-aminocyclopentyl]methanol;4-chloro-N-[(4-cyanophenyl)methyl]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide;4-chloro-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 161208555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).