N-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide

C18H22ClNO3S — CID 154511661

IUPACN-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1ccccc1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO3S/c1-3-13(2)17(18(21)14-9-11-15(19)12-10-14)20-24(22,23)16-7-5-4-6-8-16/h4-13,17-18,20-21H,3H2,1-2H3/t13-,17-,18?/m0/s1
InChIKeyMLNFFSBNFDWQBT-VELWFJCASA-N
MW367.90 g/mol
LogP3.77
Rot. Bonds7

About N-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide

N-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide (PubChem CID 154511661) has the molecular formula C18H22ClNO3S and a molecular weight of 367.90 g/mol. Its IUPAC name is N-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
PubChem CID154511661
Molecular FormulaC18H22ClNO3S
Molecular Weight367.90 g/mol
Exact Mass367.10
IUPAC NameN-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1ccccc1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO3S/c1-3-13(2)17(18(21)14-9-11-15(19)12-10-14)20-24(22,23)16-7-5-4-6-8-16/h4-13,17-18,20-21H,3H2,1-2H3/t13-,17-,18?/m0/s1
InChIKeyMLNFFSBNFDWQBT-VELWFJCASA-N
XLogP3.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 10471593
4-bromo-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide
CID 68543467
(2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6541721
2-fluoro-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide
CID 68541981
4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 87610028
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 13293571
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
5-chloro-N-[(2S,3S)-1-[4-(dimethylamino)phenyl]-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide
CID 66930087
3-chloro-N-[(3S,4S)-5-hydroxy-3-methylnonan-4-yl]benzenesulfonamide
CID 21078493
N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide
CID 3814235
ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate
CID 7375482

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide?
The IUPAC name of N-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide (CID 154511661) is N-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide is CC[C@H](C)[C@H](NS(=O)(=O)c1ccccc1)C(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide?
The InChIKey is MLNFFSBNFDWQBT-VELWFJCASA-N. The full InChI is InChI=1S/C18H22ClNO3S/c1-3-13(2)17(18(21)14-9-11-15(19)12-10-14)20-24(22,23)16-7-5-4-6-8-16/h4-13,17-18,20-21H,3H2,1-2H3/t13-,17-,18?/m0/s1.
What are the key properties of N-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide?
N-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide has a molecular weight of 367.90 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 154511661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).