4-bromo-N-methyl-2-(2-oxopropyl)benzenesulfonamide

C10H12BrNO3S — CID 58436455

IUPAC4-bromo-N-methyl-2-(2-oxopropyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Br)cc1CC(C)=O
InChIInChI=1S/C10H12BrNO3S/c1-7(13)5-8-6-9(11)3-4-10(8)16(14,15)12-2/h3-4,6,12H,5H2,1-2H3
InChIKeyVBABXWKUDSFXPC-UHFFFAOYSA-N
MW306.18 g/mol
LogP1.49
Rot. Bonds4

About 4-bromo-N-methyl-2-(2-oxopropyl)benzenesulfonamide

4-bromo-N-methyl-2-(2-oxopropyl)benzenesulfonamide (PubChem CID 58436455) has the molecular formula C10H12BrNO3S and a molecular weight of 306.18 g/mol. Its IUPAC name is 4-bromo-N-methyl-2-(2-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-methyl-2-(2-oxopropyl)benzenesulfonamide
PubChem CID58436455
Molecular FormulaC10H12BrNO3S
Molecular Weight306.18 g/mol
Exact Mass304.97
IUPAC Name4-bromo-N-methyl-2-(2-oxopropyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Br)cc1CC(C)=O
InChIInChI=1S/C10H12BrNO3S/c1-7(13)5-8-6-9(11)3-4-10(8)16(14,15)12-2/h3-4,6,12H,5H2,1-2H3
InChIKeyVBABXWKUDSFXPC-UHFFFAOYSA-N
XLogP1.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-ethyl-N-methylbenzenesulfonamide
CID 67059569
5-bromo-2-hydroxy-N-methylbenzenesulfonamide
CID 169108659
4-acetyl-2-bromo-N-methylbenzenesulfonamide
CID 157311179
4-bromo-2-(2-oxopropyl)benzenesulfinate
CID 174843062
4-methyl-2-(2-oxopropyl)benzenesulfonic acid
CID 19030411
methyl 2-[5-bromo-2-[(4-methoxy-2-methylphenyl)methylsulfamoyl]phenyl]acetate
CID 122545601
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 63199232
ethyl 2-[4-[(4-bromo-2-ethylphenyl)sulfonylamino]phenyl]acetate
CID 4984042
1-(6-bromo-1-benzofuran-3-yl)propan-2-one
CID 82623219
2-(aminomethyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 66877918
4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide
CID 3369335

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-2-(2-oxopropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-methyl-2-(2-oxopropyl)benzenesulfonamide (CID 58436455) is 4-bromo-N-methyl-2-(2-oxopropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-methyl-2-(2-oxopropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-methyl-2-(2-oxopropyl)benzenesulfonamide is CNS(=O)(=O)c1ccc(Br)cc1CC(C)=O.
What is the InChIKey of 4-bromo-N-methyl-2-(2-oxopropyl)benzenesulfonamide?
The InChIKey is VBABXWKUDSFXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3S/c1-7(13)5-8-6-9(11)3-4-10(8)16(14,15)12-2/h3-4,6,12H,5H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-2-(2-oxopropyl)benzenesulfonamide?
4-bromo-N-methyl-2-(2-oxopropyl)benzenesulfonamide has a molecular weight of 306.18 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-2-(2-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 58436455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).