(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide

C17H19BrN2O3S — CID 41330824

IUPAC(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1C
InChIInChI=1S/C17H19BrN2O3S/c1-11-5-4-6-16(12(11)2)19-17(21)13(3)20-24(22,23)15-9-7-14(18)8-10-15/h4-10,13,20H,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyIOIGGSYSDXWOLL-ZDUSSCGKSA-N
MW411.32 g/mol
LogP3.37
Rot. Bonds5

About (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide

(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide (PubChem CID 41330824) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
PubChem CID41330824
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1C
InChIInChI=1S/C17H19BrN2O3S/c1-11-5-4-6-16(12(11)2)19-17(21)13(3)20-24(22,23)15-9-7-14(18)8-10-15/h4-10,13,20H,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyIOIGGSYSDXWOLL-ZDUSSCGKSA-N
XLogP3.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 41330822
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide
CID 40616001
(2S)-N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 29283920
N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 3660205
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 41330687
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 41373401
2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 4657987
2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide
CID 3652587
(2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide
CID 41330887
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 41330979
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide (CID 41330824) is (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1C.
What is the InChIKey of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is IOIGGSYSDXWOLL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-11-5-4-6-16(12(11)2)19-17(21)13(3)20-24(22,23)15-9-7-14(18)8-10-15/h4-10,13,20H,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide?
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 411.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 41330824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).