(2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide

C16H16Cl2N2O3S — CID 41329496

IUPAC(2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S/c1-10-3-6-13(7-4-10)24(22,23)20-11(2)16(21)19-15-9-12(17)5-8-14(15)18/h3-9,11,20H,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyQTGUFWBVPQENHF-NSHDSACASA-N
MW387.29 g/mol
LogP3.61
Rot. Bonds5

About (2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide

(2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 41329496) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is (2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID41329496
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name(2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S/c1-10-3-6-13(7-4-10)24(22,23)20-11(2)16(21)19-15-9-12(17)5-8-14(15)18/h3-9,11,20H,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyQTGUFWBVPQENHF-NSHDSACASA-N
XLogP3.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 50740249
N-(2,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 3958242
(2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 7318745
(2R)-N-(2,5-dichlorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 124548996
(2S)-N-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 7366747
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 5140094
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,5-difluorophenyl)propanamide
CID 28549159
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 41330979
(2R)-N-(4-bromo-2-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 41331452
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 1254747
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 124551745
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide (CID 41329496) is (2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of (2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is QTGUFWBVPQENHF-NSHDSACASA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-10-3-6-13(7-4-10)24(22,23)20-11(2)16(21)19-15-9-12(17)5-8-14(15)18/h3-9,11,20H,1-2H3,(H,19,21)/t11-/m0/s1.
What are the key properties of (2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
(2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 387.29 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 41329496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).