(2S)-2-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]butanamide

C16H16Cl2N2O3S — CID 177299430

IUPAC(2S)-2-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]butanamide
SMILESCC[C@H](C(N)=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S/c1-2-12(16(19)21)10-6-8-11(9-7-10)20-24(22,23)14-5-3-4-13(17)15(14)18/h3-9,12,20H,2H2,1H3,(H2,19,21)/t12-/m0/s1
InChIKeyLXGHZULFFPMFKM-LBPRGKRZSA-N
MW387.29 g/mol
LogP3.77
Rot. Bonds6

About (2S)-2-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]butanamide

(2S)-2-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]butanamide (PubChem CID 177299430) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is (2S)-2-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]butanamide
PubChem CID177299430
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name(2S)-2-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]butanamide
SMILESCC[C@H](C(N)=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S/c1-2-12(16(19)21)10-6-8-11(9-7-10)20-24(22,23)14-5-3-4-13(17)15(14)18/h3-9,12,20H,2H2,1H3,(H2,19,21)/t12-/m0/s1
InChIKeyLXGHZULFFPMFKM-LBPRGKRZSA-N
XLogP3.77
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(methylamino)phenyl]butanamide
CID 175192673
2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid
CID 65222532
2,3-dichloro-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 41349149
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide
CID 43605705
(2R)-2-phenylbutanamide
CID 139147476
N'-(2,3-dichlorophenyl)sulfonylpropanehydrazide
CID 8505483
N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965668
N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 60532816
2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetate
CID 7042231
N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide
CID 2697045
ethyl 2-[6-[(2,3-dichlorophenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
CID 176656736

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]butanamide?
The IUPAC name of (2S)-2-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]butanamide (CID 177299430) is (2S)-2-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]butanamide.
What is the SMILES notation for (2S)-2-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]butanamide?
The canonical SMILES for (2S)-2-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]butanamide is CC[C@H](C(N)=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of (2S)-2-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]butanamide?
The InChIKey is LXGHZULFFPMFKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-2-12(16(19)21)10-6-8-11(9-7-10)20-24(22,23)14-5-3-4-13(17)15(14)18/h3-9,12,20H,2H2,1H3,(H2,19,21)/t12-/m0/s1.
What are the key properties of (2S)-2-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]butanamide?
(2S)-2-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]butanamide has a molecular weight of 387.29 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]butanamide is sourced from PubChem (CID 177299430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).