N-(3-bromophenyl)methanesulfonamide

C7H8BrNO2S — CID 798932

IUPACN-(3-bromophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C7H8BrNO2S/c1-12(10,11)9-7-4-2-3-6(8)5-7/h2-5,9H,1H3
InChIKeyDCAVLRMJGJXYMZ-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.82
Rot. Bonds2

About N-(3-bromophenyl)methanesulfonamide

N-(3-bromophenyl)methanesulfonamide (PubChem CID 798932) has the molecular formula C7H8BrNO2S and a molecular weight of 250.12 g/mol. Its IUPAC name is N-(3-bromophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)methanesulfonamide
PubChem CID798932
Molecular FormulaC7H8BrNO2S
Molecular Weight250.12 g/mol
Exact Mass248.95
IUPAC NameN-(3-bromophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C7H8BrNO2S/c1-12(10,11)9-7-4-2-3-6(8)5-7/h2-5,9H,1H3
InChIKeyDCAVLRMJGJXYMZ-UHFFFAOYSA-N
XLogP1.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromoaniline
CID 11562
Methanesulfonamide, N-phenyl-
CID 70970
N-(4-Bromophenyl)methanesulfonamide
CID 706841
N-(2-bromophenyl)methanesulfonamide
CID 3629878
((4-Bromophenyl)imino)dimethyl-lambda6-sulfanone
CID 323550
N-(4-bromophenyl)aminosulfonamide
CID 21449436
N'-(3-bromophenyl)-N,N-dimethylsulfamide
CID 315807
[(2-Bromophenyl)sulfamoyl]dimethylamine
CID 5020191
2-Amino-4-bromobenzene-1-sulfonamide
CID 12452495
M-Bromo CF3-methanesulfonanilide
CID 23274198
2-Amino-6-bromobenzene-1-sulfonamide
CID 12528493
[(3-Bromophenyl)imino]dimethyl-lambda6-sulfanone
CID 90414134

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)methanesulfonamide?
The IUPAC name of N-(3-bromophenyl)methanesulfonamide (CID 798932) is N-(3-bromophenyl)methanesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)methanesulfonamide?
The canonical SMILES for N-(3-bromophenyl)methanesulfonamide is CS(=O)(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)methanesulfonamide?
The InChIKey is DCAVLRMJGJXYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2S/c1-12(10,11)9-7-4-2-3-6(8)5-7/h2-5,9H,1H3.
What are the key properties of N-(3-bromophenyl)methanesulfonamide?
N-(3-bromophenyl)methanesulfonamide has a molecular weight of 250.12 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)methanesulfonamide is sourced from PubChem (CID 798932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).