(4-bromophenyl)methanesulfonamide

C7H8BrNO2S — CID 12024987

IUPAC(4-bromophenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C7H8BrNO2S/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11)
InChIKeyUMWAULCQIJRMLH-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.24
Rot. Bonds2

About (4-bromophenyl)methanesulfonamide

(4-bromophenyl)methanesulfonamide (PubChem CID 12024987) has the molecular formula C7H8BrNO2S and a molecular weight of 250.12 g/mol. Its IUPAC name is (4-bromophenyl)methanesulfonamide.

Molecular Properties

Compound Name(4-bromophenyl)methanesulfonamide
PubChem CID12024987
Molecular FormulaC7H8BrNO2S
Molecular Weight250.12 g/mol
Exact Mass248.95
IUPAC Name(4-bromophenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C7H8BrNO2S/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11)
InChIKeyUMWAULCQIJRMLH-UHFFFAOYSA-N
XLogP1.24
TPSA60.16 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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenemethanesulfonamide
CID 78318
3-Bromophenyl-difluoromethanesulfonamide
CID 11687831
(4-Bromophenyl)difluoromethanesulfonamide
CID 44405186
(2-Bromophenyl)difluoromethanesulfonamide
CID 44405179
5-Bromo-2-methylbenzene-1-sulfonamide
CID 2446821
(4-Bromophenyl)methanesulfonyl chloride
CID 598764
2-(4-bromophenyl)-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide
CID 9884806
Sodium (4-bromophenyl)methanesulfinate
CID 124203230
1-Bromo-4-((methylsulfonyl)methyl)benzene
CID 2761415
1-(4-Bromophenyl)-N-propylmethanesulfonamide
CID 17741333
(E)-2-(4-bromophenyl)ethene-1-sulfonyl fluoride
CID 132498775
5-(4-Bromophenyl)-2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide
CID 12043584

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methanesulfonamide?
The IUPAC name of (4-bromophenyl)methanesulfonamide (CID 12024987) is (4-bromophenyl)methanesulfonamide.
What is the SMILES notation for (4-bromophenyl)methanesulfonamide?
The canonical SMILES for (4-bromophenyl)methanesulfonamide is NS(=O)(=O)Cc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methanesulfonamide?
The InChIKey is UMWAULCQIJRMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2S/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11).
What are the key properties of (4-bromophenyl)methanesulfonamide?
(4-bromophenyl)methanesulfonamide has a molecular weight of 250.12 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methanesulfonamide is sourced from PubChem (CID 12024987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).