3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide

C12H11BrN2O3S2 — CID 31580807

IUPAC3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C12H11BrN2O3S2/c1-14-12(16)8-3-2-4-9(7-8)15-20(17,18)11-6-5-10(13)19-11/h2-7,15H,1H3,(H,14,16)
InChIKeyCVEMQLBQORWCRQ-UHFFFAOYSA-N
MW375.27 g/mol
LogP2.67
Rot. Bonds4

About 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide

3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide (PubChem CID 31580807) has the molecular formula C12H11BrN2O3S2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide
PubChem CID31580807
Molecular FormulaC12H11BrN2O3S2
Molecular Weight375.27 g/mol
Exact Mass373.94
IUPAC Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C12H11BrN2O3S2/c1-14-12(16)8-3-2-4-9(7-8)15-20(17,18)11-6-5-10(13)19-11/h2-7,15H,1H3,(H,14,16)
InChIKeyCVEMQLBQORWCRQ-UHFFFAOYSA-N
XLogP2.67
TPSA75.27 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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
CID 18084682
3-[(5-bromothiophen-2-yl)sulfonylamino]benzenecarbothioamide
CID 43343845
3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide
CID 31580763
1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea
CID 31075750
2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
CID 65345395
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide
CID 26268701
3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 31580790
N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide
CID 2198378
3-[(4-acetamidophenyl)sulfonylamino]-N-methylbenzamide
CID 31580637
3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide
CID 31580711
methyl 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoate
CID 43405556

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide (CID 31580807) is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide is CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)s2)c1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide?
The InChIKey is CVEMQLBQORWCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S2/c1-14-12(16)8-3-2-4-9(7-8)15-20(17,18)11-6-5-10(13)19-11/h2-7,15H,1H3,(H,14,16).
What are the key properties of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide?
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide has a molecular weight of 375.27 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 31580807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).