N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide

C16H16BrClN2O3S — CID 17225649

IUPACN-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESCc1cc(Br)ccc1NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16BrClN2O3S/c1-11-10-12(17)2-7-15(11)20-16(21)8-9-19-24(22,23)14-5-3-13(18)4-6-14/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyDZJKKBOKYSFZSU-UHFFFAOYSA-N
MW431.74 g/mol
LogP3.72
Rot. Bonds6

About N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide

N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide (PubChem CID 17225649) has the molecular formula C16H16BrClN2O3S and a molecular weight of 431.74 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
PubChem CID17225649
Molecular FormulaC16H16BrClN2O3S
Molecular Weight431.74 g/mol
Exact Mass429.98
IUPAC NameN-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESCc1cc(Br)ccc1NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16BrClN2O3S/c1-11-10-12(17)2-7-15(11)20-16(21)8-9-19-24(22,23)14-5-3-13(18)4-6-14/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyDZJKKBOKYSFZSU-UHFFFAOYSA-N
XLogP3.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.74
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide
CID 26687749
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
3-[(4-chlorophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 17225585
3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038531
3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide
CID 26687643
3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 17192350
N-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 109028102
methyl 3-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-4-methylbenzoate
CID 9495078
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 9403064
3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 17225634
3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 26538610
3-[(4-bromophenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)propanamide
CID 17192374

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide (CID 17225649) is N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide is Cc1cc(Br)ccc1NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide?
The InChIKey is DZJKKBOKYSFZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O3S/c1-11-10-12(17)2-7-15(11)20-16(21)8-9-19-24(22,23)14-5-3-13(18)4-6-14/h2-7,10,19H,8-9H2,1H3,(H,20,21).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide?
N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide has a molecular weight of 431.74 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 17225649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).