5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride

C12H8BrCl2NO3S2 — CID 107998188

IUPAC5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCc1ccc(S(=O)(=O)Cl)s1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H8BrCl2NO3S2/c13-9-5-7(1-3-10(9)14)12(17)16-6-8-2-4-11(20-8)21(15,18)19/h1-5H,6H2,(H,16,17)
InChIKeyWUTBZGSUXHIQMD-UHFFFAOYSA-N
MW429.14 g/mol
LogP4.02
Rot. Bonds4

About 5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride

5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride (PubChem CID 107998188) has the molecular formula C12H8BrCl2NO3S2 and a molecular weight of 429.14 g/mol. Its IUPAC name is 5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
PubChem CID107998188
Molecular FormulaC12H8BrCl2NO3S2
Molecular Weight429.14 g/mol
Exact Mass426.85
IUPAC Name5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCc1ccc(S(=O)(=O)Cl)s1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H8BrCl2NO3S2/c13-9-5-7(1-3-10(9)14)12(17)16-6-8-2-4-11(20-8)21(15,18)19/h1-5H,6H2,(H,16,17)
InChIKeyWUTBZGSUXHIQMD-UHFFFAOYSA-N
XLogP4.02
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.14
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride 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

5-[[(4-bromobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363006
5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363004
3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 107999567
5-[[(2-bromo-5-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43362991
5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 107517313
3,5-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242455
5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 43173405
3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103842110
3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103841851
3-chloro-4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 53112330
N-[(5-sulfamoylthiophen-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24574708
2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242454

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride (CID 107998188) is 5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride is O=C(NCc1ccc(S(=O)(=O)Cl)s1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride?
The InChIKey is WUTBZGSUXHIQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2NO3S2/c13-9-5-7(1-3-10(9)14)12(17)16-6-8-2-4-11(20-8)21(15,18)19/h1-5H,6H2,(H,16,17).
What are the key properties of 5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride?
5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride has a molecular weight of 429.14 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-bromo-4-chlorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 107998188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).