(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide

C16H17BrN2O3S — CID 40616001

IUPAC(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O3S/c1-11-5-3-4-6-15(11)18-16(20)12(2)19-23(21,22)14-9-7-13(17)8-10-14/h3-10,12,19H,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyPZKRJBONVKYCEX-LBPRGKRZSA-N
MW397.29 g/mol
LogP3.06
Rot. Bonds5

About (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide

(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide (PubChem CID 40616001) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide
PubChem CID40616001
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC Name(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O3S/c1-11-5-3-4-6-15(11)18-16(20)12(2)19-23(21,22)14-9-7-13(17)8-10-14/h3-10,12,19H,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyPZKRJBONVKYCEX-LBPRGKRZSA-N
XLogP3.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 53.06
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-(2,3-dimethylphenyl)propanamide
CID 41330824
N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 3660205
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 41373401
2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 4657987
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 41330979
(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 41330687
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
(2S)-N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 29283920
2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide
CID 3652587
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 1316963

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide?
The IUPAC name of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide (CID 40616001) is (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide?
The InChIKey is PZKRJBONVKYCEX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-11-5-3-4-6-15(11)18-16(20)12(2)19-23(21,22)14-9-7-13(17)8-10-14/h3-10,12,19H,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide?
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide has a molecular weight of 397.29 g/mol, XLogP of 3.06, 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-methylphenyl)propanamide is sourced from PubChem (CID 40616001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).