4-chloro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid

C13H12ClNO4S2 — CID 43238130

IUPAC4-chloro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
SMILESCN(Cc1cccs1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C13H12ClNO4S2/c1-15(8-10-3-2-6-20-10)21(18,19)12-7-9(13(16)17)4-5-11(12)14/h2-7H,8H2,1H3,(H,16,17)
InChIKeyPDPMRGVGSNLSTM-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.92
Rot. Bonds5

About 4-chloro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid

4-chloro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid (PubChem CID 43238130) has the molecular formula C13H12ClNO4S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-chloro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
PubChem CID43238130
Molecular FormulaC13H12ClNO4S2
Molecular Weight345.83 g/mol
Exact Mass344.99
IUPAC Name4-chloro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
SMILESCN(Cc1cccs1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C13H12ClNO4S2/c1-15(8-10-3-2-6-20-10)21(18,19)12-7-9(13(16)17)4-5-11(12)14/h2-7H,8H2,1H3,(H,16,17)
InChIKeyPDPMRGVGSNLSTM-UHFFFAOYSA-N
XLogP2.92
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238358
4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid
CID 146121375
4-chloro-3-[ethyl(methyl)sulfamoyl]benzoic acid
CID 43263286
4-chloro-3-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271122
5-amino-2-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61111716
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 55181040
2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238133
2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9188295
2,4-dibromo-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47304794
4-ethyl-3-(2-thiophen-2-ylethylsulfonyl)benzoic acid
CID 63775702
4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 2485473

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-chloro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid (CID 43238130) is 4-chloro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid is CN(Cc1cccs1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid?
The InChIKey is PDPMRGVGSNLSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S2/c1-15(8-10-3-2-6-20-10)21(18,19)12-7-9(13(16)17)4-5-11(12)14/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 4-chloro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid?
4-chloro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid has a molecular weight of 345.83 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43238130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).