(2R)-N-[4-[(3-aminocyclohexyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C16H21ClF3N3O4S — CID 10646927

IUPAC(2R)-N-[4-[(3-aminocyclohexyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESC[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)NC2CCCC(N)C2)cc1Cl)C(F)(F)F
InChIInChI=1S/C16H21ClF3N3O4S/c1-15(25,16(18,19)20)14(24)22-13-6-5-11(8-12(13)17)28(26,27)23-10-4-2-3-9(21)7-10/h5-6,8-10,23,25H,2-4,7,21H2,1H3,(H,22,24)/t9?,10?,15-/m1/s1
InChIKeyDMOZBAPKYVVXQZ-HKJQSTPSSA-N
MW443.88 g/mol
LogP2.14
Rot. Bonds5

About (2R)-N-[4-[(3-aminocyclohexyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

(2R)-N-[4-[(3-aminocyclohexyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 10646927) has the molecular formula C16H21ClF3N3O4S and a molecular weight of 443.88 g/mol. Its IUPAC name is (2R)-N-[4-[(3-aminocyclohexyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-[4-[(3-aminocyclohexyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID10646927
Molecular FormulaC16H21ClF3N3O4S
Molecular Weight443.88 g/mol
Exact Mass443.09
IUPAC Name(2R)-N-[4-[(3-aminocyclohexyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESC[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)NC2CCCC(N)C2)cc1Cl)C(F)(F)F
InChIInChI=1S/C16H21ClF3N3O4S/c1-15(25,16(18,19)20)14(24)22-13-6-5-11(8-12(13)17)28(26,27)23-10-4-2-3-9(21)7-10/h5-6,8-10,23,25H,2-4,7,21H2,1H3,(H,22,24)/t9?,10?,15-/m1/s1
InChIKeyDMOZBAPKYVVXQZ-HKJQSTPSSA-N
XLogP2.14
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.88
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[4-[(3-aminocyclohexyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide with MolForge

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Related Compounds

(2R)-N-[2-chloro-4-(cyclododecylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 10601861
N-[2-chloro-4-[(3,5-dichloro-2-pyridinyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 18758710
N-[2-chloro-4-(cyclopentylsulfamoyl)phenyl]acetamide
CID 5178972
N-(2-chloro-4-propylsulfonylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287187
N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide
CID 18758712
N-[2-chloro-4-(4-methylphenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22621269
N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287185
(2R)-N-[2-chloro-4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 10719115
N-[2-chloro-4-[4-[3-(hydroxymethyl)piperidin-1-yl]phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287501
N-[2-chloro-4-[4-[(R)-methylsulfinyl]phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 91432113
N-[2-chloro-4-[4-(1,3-dihydroxypropan-2-ylamino)phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287435
N-[2-chloro-4-(1H-imidazol-2-ylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22621279

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(3-aminocyclohexyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2R)-N-[4-[(3-aminocyclohexyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 10646927) is (2R)-N-[4-[(3-aminocyclohexyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2R)-N-[4-[(3-aminocyclohexyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2R)-N-[4-[(3-aminocyclohexyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)NC2CCCC(N)C2)cc1Cl)C(F)(F)F.
What is the InChIKey of (2R)-N-[4-[(3-aminocyclohexyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is DMOZBAPKYVVXQZ-HKJQSTPSSA-N. The full InChI is InChI=1S/C16H21ClF3N3O4S/c1-15(25,16(18,19)20)14(24)22-13-6-5-11(8-12(13)17)28(26,27)23-10-4-2-3-9(21)7-10/h5-6,8-10,23,25H,2-4,7,21H2,1H3,(H,22,24)/t9?,10?,15-/m1/s1.
What are the key properties of (2R)-N-[4-[(3-aminocyclohexyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
(2R)-N-[4-[(3-aminocyclohexyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 443.88 g/mol, XLogP of 2.14, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(3-aminocyclohexyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 10646927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).