N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide

C15H14BrNO3S — CID 43629655

IUPACN-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide
SMILESCc1cc(Br)ccc1C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C15H14BrNO3S/c1-10-9-12(16)5-8-14(10)15(18)11-3-6-13(7-4-11)17-21(2,19)20/h3-9,17H,1-2H3
InChIKeyVZNNMRUWRWEIGG-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.36
Rot. Bonds4

About N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide

N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide (PubChem CID 43629655) has the molecular formula C15H14BrNO3S and a molecular weight of 368.25 g/mol. Its IUPAC name is N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide
PubChem CID43629655
Molecular FormulaC15H14BrNO3S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC NameN-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide
SMILESCc1cc(Br)ccc1C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C15H14BrNO3S/c1-10-9-12(16)5-8-14(10)15(18)11-3-6-13(7-4-11)17-21(2,19)20/h3-9,17H,1-2H3
InChIKeyVZNNMRUWRWEIGG-UHFFFAOYSA-N
XLogP3.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide
CID 79802964
N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide
CID 43339036
(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43629619
(4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299227
(4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone
CID 112694073
(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 103750489
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide
CID 79212173
2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 32535159
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 19062512
N-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide
CID 82779073
(4-bromo-2-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 43629621

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide (CID 43629655) is N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide is Cc1cc(Br)ccc1C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide?
The InChIKey is VZNNMRUWRWEIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3S/c1-10-9-12(16)5-8-14(10)15(18)11-3-6-13(7-4-11)17-21(2,19)20/h3-9,17H,1-2H3.
What are the key properties of N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide?
N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide has a molecular weight of 368.25 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide is sourced from PubChem (CID 43629655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).