(2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide

C16H17ClN2O3S — CID 41330887

IUPAC(2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17ClN2O3S/c1-11-14(17)9-6-10-15(11)18-16(20)12(2)19-23(21,22)13-7-4-3-5-8-13/h3-10,12,19H,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyVOZAHOSUIKTZOX-LBPRGKRZSA-N
MW352.84 g/mol
LogP2.95
Rot. Bonds5

About (2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide

(2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide (PubChem CID 41330887) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide
PubChem CID41330887
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name(2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17ClN2O3S/c1-11-14(17)9-6-10-15(11)18-16(20)12(2)19-23(21,22)13-7-4-3-5-8-13/h3-10,12,19H,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyVOZAHOSUIKTZOX-LBPRGKRZSA-N
XLogP2.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 2224879
(2S)-2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)propanamide
CID 1254732
2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide
CID 55430532
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
(2S)-N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 29283920
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 41330822
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 41330824
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-naphthalen-1-ylpropanamide
CID 1295084
3-(3-chloro-2-methylanilino)-3-oxo-2-phenylpropanoic acid
CID 175133979
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide (CID 41330887) is (2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide is Cc1c(Cl)cccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide?
The InChIKey is VOZAHOSUIKTZOX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-11-14(17)9-6-10-15(11)18-16(20)12(2)19-23(21,22)13-7-4-3-5-8-13/h3-10,12,19H,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide?
(2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide has a molecular weight of 352.84 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 41330887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).