2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide

C14H10BrNO4S — CID 3264977

IUPAC2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide
SMILESO=C1OCc2ccc(NS(=O)(=O)c3ccccc3Br)cc21
InChIInChI=1S/C14H10BrNO4S/c15-12-3-1-2-4-13(12)21(18,19)16-10-6-5-9-8-20-14(17)11(9)7-10/h1-7,16H,8H2
InChIKeyNRNREITYIXECLS-UHFFFAOYSA-N
MW368.21 g/mol
LogP2.92
Rot. Bonds3

About 2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide

2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide (PubChem CID 3264977) has the molecular formula C14H10BrNO4S and a molecular weight of 368.21 g/mol. Its IUPAC name is 2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide
PubChem CID3264977
Molecular FormulaC14H10BrNO4S
Molecular Weight368.21 g/mol
Exact Mass366.95
IUPAC Name2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide
SMILESO=C1OCc2ccc(NS(=O)(=O)c3ccccc3Br)cc21
InChIInChI=1S/C14H10BrNO4S/c15-12-3-1-2-4-13(12)21(18,19)16-10-6-5-9-8-20-14(17)11(9)7-10/h1-7,16H,8H2
InChIKeyNRNREITYIXECLS-UHFFFAOYSA-N
XLogP2.92
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxo-1H-2-benzofuran-5-yl)methanesulfonamide
CID 738096
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 3586341
6-(benzylsulfamoylamino)-3H-2-benzofuran-1-one
CID 56861749
2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide
CID 47310409
2-bromo-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 132572107
2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide
CID 3263186
2-bromo-N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide
CID 40889281
6-(prop-2-ynylamino)-3H-2-benzofuran-1-one
CID 130617302
2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide
CID 115379035
2-bromo-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65030964
N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide
CID 63254732
[3-[(2-bromophenyl)sulfonylamino]phenyl]urea
CID 36510716

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide (CID 3264977) is 2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide is O=C1OCc2ccc(NS(=O)(=O)c3ccccc3Br)cc21.
What is the InChIKey of 2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide?
The InChIKey is NRNREITYIXECLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO4S/c15-12-3-1-2-4-13(12)21(18,19)16-10-6-5-9-8-20-14(17)11(9)7-10/h1-7,16H,8H2.
What are the key properties of 2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide?
2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide has a molecular weight of 368.21 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide is sourced from PubChem (CID 3264977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).