4-[(3-bromophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide

C12H11BrN2O3S2 — CID 6502861

IUPAC4-[(3-bromophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(N)=O)cc1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H11BrN2O3S2/c1-7-11(6-10(19-7)12(14)16)20(17,18)15-9-4-2-3-8(13)5-9/h2-6,15H,1H3,(H2,14,16)
InChIKeyIDWCIPQFGNSFFG-UHFFFAOYSA-N
MW375.27 g/mol
LogP2.72
Rot. Bonds4

About 4-[(3-bromophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide

4-[(3-bromophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide (PubChem CID 6502861) has the molecular formula C12H11BrN2O3S2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 4-[(3-bromophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(3-bromophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide
PubChem CID6502861
Molecular FormulaC12H11BrN2O3S2
Molecular Weight375.27 g/mol
Exact Mass373.94
IUPAC Name4-[(3-bromophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(N)=O)cc1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H11BrN2O3S2/c1-7-11(6-10(19-7)12(14)16)20(17,18)15-9-4-2-3-8(13)5-9/h2-6,15H,1H3,(H2,14,16)
InChIKeyIDWCIPQFGNSFFG-UHFFFAOYSA-N
XLogP2.72
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide
CID 6502862
3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide
CID 106061577
N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 39769709
[3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea
CID 36511162
3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
CID 18084682
3-[(3-bromophenyl)sulfamoyl]-4-methylbenzoate
CID 8822291
4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327978
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
4-[(2,5-dimethylphenyl)sulfonylamino]-5-methylthiophene-2-carboxamide
CID 71852238
1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea
CID 31075764
5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide
CID 106061602
N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-[(3-bromophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide (CID 6502861) is 4-[(3-bromophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(3-bromophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-[(3-bromophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide is Cc1sc(C(N)=O)cc1S(=O)(=O)Nc1cccc(Br)c1.
What is the InChIKey of 4-[(3-bromophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide?
The InChIKey is IDWCIPQFGNSFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S2/c1-7-11(6-10(19-7)12(14)16)20(17,18)15-9-4-2-3-8(13)5-9/h2-6,15H,1H3,(H2,14,16).
What are the key properties of 4-[(3-bromophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide?
4-[(3-bromophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 6502861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).