2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide

C17H19BrN2O3S — CID 50740483

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide
SMILESCCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C17H19BrN2O3S/c1-3-16(17(21)19-14-6-4-5-12(2)11-14)20-24(22,23)15-9-7-13(18)8-10-15/h4-11,16,20H,3H2,1-2H3,(H,19,21)
InChIKeyDUDQAKZRCHEIFC-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.45
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide

2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide (PubChem CID 50740483) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide
PubChem CID50740483
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide
SMILESCCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C17H19BrN2O3S/c1-3-16(17(21)19-14-6-4-5-12(2)11-14)20-24(22,23)15-9-7-13(18)8-10-15/h4-11,16,20H,3H2,1-2H3,(H,19,21)
InChIKeyDUDQAKZRCHEIFC-UHFFFAOYSA-N
XLogP3.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499244
(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 41330687
methyl 3-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]benzoate
CID 110499298
2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)butanamide
CID 50740270
(2S)-2-[(4-bromophenyl)sulfonylamino]-N,N'-diphenylpentanediamide
CID 25197367
propan-2-yl 3-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]benzoate
CID 110499299
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 41373401
(2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide
CID 98302323
2-ethylsulfonyl-N-(3-methylphenyl)propanamide
CID 47207048
(2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide
CID 94090675
2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide
CID 110499336
2-amino-N-(3-methylphenyl)butanamide
CID 43649463

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide (CID 50740483) is 2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide is CCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide?
The InChIKey is DUDQAKZRCHEIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-3-16(17(21)19-14-6-4-5-12(2)11-14)20-24(22,23)15-9-7-13(18)8-10-15/h4-11,16,20H,3H2,1-2H3,(H,19,21).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide?
2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide has a molecular weight of 411.32 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 50740483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).