N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide

C17H19BrN2O3S — CID 25342391

IUPACN-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-11(2)17(21)19-15-7-4-12(3)16(10-15)24(22,23)20-14-8-5-13(18)6-9-14/h4-11,20H,1-3H3,(H,19,21)
InChIKeyGIBSLQZYZGBJES-UHFFFAOYSA-N
MW411.32 g/mol
LogP4.15
Rot. Bonds5

About N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide

N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide (PubChem CID 25342391) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide
PubChem CID25342391
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC NameN-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-11(2)17(21)19-15-7-4-12(3)16(10-15)24(22,23)20-14-8-5-13(18)6-9-14/h4-11,20H,1-3H3,(H,19,21)
InChIKeyGIBSLQZYZGBJES-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide
CID 24636258
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide
CID 17491857
trans-(1S,2S)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 26850175
N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965710
5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 60661360
2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 42940924
(2R)-2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 35678664
(2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 119679340
(2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide
CID 41094177
4-[[3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 6982972
(2S)-2-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide
CID 26760351
1,3-bis[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]urea
CID 90145577

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide (CID 25342391) is N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide is Cc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide?
The InChIKey is GIBSLQZYZGBJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-11(2)17(21)19-15-7-4-12(3)16(10-15)24(22,23)20-14-8-5-13(18)6-9-14/h4-11,20H,1-3H3,(H,19,21).
What are the key properties of N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide?
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide has a molecular weight of 411.32 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 25342391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).