4-acetyl-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide;3-chloro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide

C44H55ClN2O7S2 — CID 159372303

IUPAC4-acetyl-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide;3-chloro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC2(Cc3ccc(CCO)cc3)CCCC2)cc1.O=S(=O)(NCC1(Cc2ccc(CCO)cc2)CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C23H29NO4S.C21H26ClNO3S/c1-18(26)21-8-10-22(11-9-21)29(27,28)24-17-23(13-2-3-14-23)16-20-6-4-19(5-7-20)12-15-25;22-19-4-3-5-20(14-19)27(25,26)23-16-21(11-1-2-12-21)15-18-8-6-17(7-9-18)10-13-24/h4-11,24-25H,2-3,12-17H2,1H3;3-9,14,23-24H,1-2,10-13,15-16H2
InChIKeyLJWXHUVRTQHNTH-UHFFFAOYSA-N
MW823.52 g/mol
LogP7.46
Rot. Bonds17

About 4-acetyl-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide;3-chloro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide

4-acetyl-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide;3-chloro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide (PubChem CID 159372303) has the molecular formula C44H55ClN2O7S2 and a molecular weight of 823.52 g/mol. Its IUPAC name is 4-acetyl-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide;3-chloro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide;3-chloro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide
PubChem CID159372303
Molecular FormulaC44H55ClN2O7S2
Molecular Weight823.52 g/mol
Exact Mass822.31
IUPAC Name4-acetyl-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide;3-chloro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC2(Cc3ccc(CCO)cc3)CCCC2)cc1.O=S(=O)(NCC1(Cc2ccc(CCO)cc2)CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C23H29NO4S.C21H26ClNO3S/c1-18(26)21-8-10-22(11-9-21)29(27,28)24-17-23(13-2-3-14-23)16-20-6-4-19(5-7-20)12-15-25;22-19-4-3-5-20(14-19)27(25,26)23-16-21(11-1-2-12-21)15-18-8-6-17(7-9-18)10-13-24/h4-11,24-25H,2-3,12-17H2,1H3;3-9,14,23-24H,1-2,10-13,15-16H2
InChIKeyLJWXHUVRTQHNTH-UHFFFAOYSA-N
XLogP7.46
TPSA149.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.52
LogP ≤ 57.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-acetyl-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide;3-chloro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide with MolForge

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Related Compounds

4-chloro-N-[[1-[[3-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide
CID 11976887
N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11976935
acetic acid;4-chloro-N-[[1-[(4-ethylphenyl)methyl]cyclopentyl]methyl]benzenesulfonamide
CID 162054654
2-[1-[[(3-chlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81163930
N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]furan-2-sulfonamide
CID 18999495
3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65109388
3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide
CID 103838022
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259
N-[4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]phenyl]acetamide
CID 110642376
3-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 110642368
4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 5013211
3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125443896

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide;3-chloro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide;3-chloro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide (CID 159372303) is 4-acetyl-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide;3-chloro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide;3-chloro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide;3-chloro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCC2(Cc3ccc(CCO)cc3)CCCC2)cc1.O=S(=O)(NCC1(Cc2ccc(CCO)cc2)CCCC1)c1cccc(Cl)c1.
What is the InChIKey of 4-acetyl-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide;3-chloro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide?
The InChIKey is LJWXHUVRTQHNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4S.C21H26ClNO3S/c1-18(26)21-8-10-22(11-9-21)29(27,28)24-17-23(13-2-3-14-23)16-20-6-4-19(5-7-20)12-15-25;22-19-4-3-5-20(14-19)27(25,26)23-16-21(11-1-2-12-21)15-18-8-6-17(7-9-18)10-13-24/h4-11,24-25H,2-3,12-17H2,1H3;3-9,14,23-24H,1-2,10-13,15-16H2.
What are the key properties of 4-acetyl-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide;3-chloro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide?
4-acetyl-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide;3-chloro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide has a molecular weight of 823.52 g/mol, XLogP of 7.46, 17 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide;3-chloro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide is sourced from PubChem (CID 159372303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).