4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide

C18H21BrN2O3S — CID 25044694

IUPAC4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21BrN2O3S/c1-3-13(2)21-18(22)15-6-4-14(5-7-15)12-20-25(23,24)17-10-8-16(19)9-11-17/h4-11,13,20H,3,12H2,1-2H3,(H,21,22)
InChIKeySVFQMCHXQYMZNX-UHFFFAOYSA-N
MW425.35 g/mol
LogP3.46
Rot. Bonds7

About 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide

4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide (PubChem CID 25044694) has the molecular formula C18H21BrN2O3S and a molecular weight of 425.35 g/mol. Its IUPAC name is 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide
PubChem CID25044694
Molecular FormulaC18H21BrN2O3S
Molecular Weight425.35 g/mol
Exact Mass424.05
IUPAC Name4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21BrN2O3S/c1-3-13(2)21-18(22)15-6-4-14(5-7-15)12-20-25(23,24)17-10-8-16(19)9-11-17/h4-11,13,20H,3,12H2,1-2H3,(H,21,22)
InChIKeySVFQMCHXQYMZNX-UHFFFAOYSA-N
XLogP3.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide
CID 4278402
4-[(4-bromophenyl)methylsulfamoyl]benzoic acid
CID 60725668
N-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109059006
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride
CID 120508926
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide
CID 29371083
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229
1-[4-[[(4-bromophenyl)sulfonylamino]methyl]phenyl]-3-propan-2-ylurea
CID 39666103
N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide
CID 87748545
4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232098
4-bromo-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
CID 3774479

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide?
The IUPAC name of 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide (CID 25044694) is 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide.
What is the SMILES notation for 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide?
The canonical SMILES for 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide is CCC(C)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide?
The InChIKey is SVFQMCHXQYMZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3S/c1-3-13(2)21-18(22)15-6-4-14(5-7-15)12-20-25(23,24)17-10-8-16(19)9-11-17/h4-11,13,20H,3,12H2,1-2H3,(H,21,22).
What are the key properties of 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide?
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide has a molecular weight of 425.35 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide is sourced from PubChem (CID 25044694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).