2-(4-chlorophenyl)sulfonyl-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide

C15H22ClNO4S — CID 125143096

IUPAC2-(4-chlorophenyl)sulfonyl-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
SMILESC[C@@H](CO)[C@@H](C)NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO4S/c1-10(9-18)11(2)17-14(19)15(3,4)22(20,21)13-7-5-12(16)6-8-13/h5-8,10-11,18H,9H2,1-4H3,(H,17,19)/t10-,11+/m0/s1
InChIKeyOTWOFLOVLDECRO-WDEREUQCSA-N
MW347.86 g/mol
LogP2.03
Rot. Bonds6

About 2-(4-chlorophenyl)sulfonyl-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide

2-(4-chlorophenyl)sulfonyl-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide (PubChem CID 125143096) has the molecular formula C15H22ClNO4S and a molecular weight of 347.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
PubChem CID125143096
Molecular FormulaC15H22ClNO4S
Molecular Weight347.86 g/mol
Exact Mass347.10
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
SMILESC[C@@H](CO)[C@@H](C)NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO4S/c1-10(9-18)11(2)17-14(19)15(3,4)22(20,21)13-7-5-12(16)6-8-13/h5-8,10-11,18H,9H2,1-4H3,(H,17,19)/t10-,11+/m0/s1
InChIKeyOTWOFLOVLDECRO-WDEREUQCSA-N
XLogP2.03
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.86
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfonyl-3-methylbutan-2-one
CID 115048708
N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
CID 115734890
2-(4-chlorophenyl)sulfonyl-2-methyl-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)propanamide
CID 58198592
2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 115770820
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
CID 59662703
2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide
CID 115734976
N-(4-tert-butyl-1,3-oxazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
CID 58198711
2-(4-chlorophenyl)sulfonyl-2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide
CID 53328937
N-(4-hydroxy-3-methylbutan-2-yl)-2-methyl-5-methylsulfonylbenzamide
CID 115770731
4-chloro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 21078717
2-(4-chlorophenyl)sulfonyl-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-2-methylpropanamide
CID 58198557
2-(4-chlorophenyl)sulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 44569507

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide (CID 125143096) is 2-(4-chlorophenyl)sulfonyl-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide is C[C@@H](CO)[C@@H](C)NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide?
The InChIKey is OTWOFLOVLDECRO-WDEREUQCSA-N. The full InChI is InChI=1S/C15H22ClNO4S/c1-10(9-18)11(2)17-14(19)15(3,4)22(20,21)13-7-5-12(16)6-8-13/h5-8,10-11,18H,9H2,1-4H3,(H,17,19)/t10-,11+/m0/s1.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide?
2-(4-chlorophenyl)sulfonyl-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide has a molecular weight of 347.86 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 125143096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).