4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid

C12H10ClNO4S2 — CID 43235820

IUPAC4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H10ClNO4S2/c13-10-5-6-11(19-10)20(17,18)14-7-8-1-3-9(4-2-8)12(15)16/h1-6,14H,7H2,(H,15,16)
InChIKeyUNHFYELQIRCWGF-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.58
Rot. Bonds5

About 4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid

4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid (PubChem CID 43235820) has the molecular formula C12H10ClNO4S2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid
PubChem CID43235820
Molecular FormulaC12H10ClNO4S2
Molecular Weight331.80 g/mol
Exact Mass330.97
IUPAC Name4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H10ClNO4S2/c13-10-5-6-11(19-10)20(17,18)14-7-8-1-3-9(4-2-8)12(15)16/h1-6,14H,7H2,(H,15,16)
InChIKeyUNHFYELQIRCWGF-UHFFFAOYSA-N
XLogP2.58
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
CID 81098757
5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780906
4-[[(5-chlorothiophen-2-yl)amino]methyl]benzoic acid
CID 115221831
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167
5-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110785314
4-bromo-3-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
CID 103866901
4-[(4-bromophenyl)methylsulfamoyl]benzoic acid
CID 60725668
5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 54907517
4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid
CID 67120728
5-chloro-N-(1,3-thiazol-4-ylmethyl)thiophene-2-sulfonamide
CID 110717389
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22209337
5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide
CID 53103756

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid?
The IUPAC name of 4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid (CID 43235820) is 4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid?
The canonical SMILES for 4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid is O=C(O)c1ccc(CNS(=O)(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid?
The InChIKey is UNHFYELQIRCWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4S2/c13-10-5-6-11(19-10)20(17,18)14-7-8-1-3-9(4-2-8)12(15)16/h1-6,14H,7H2,(H,15,16).
What are the key properties of 4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid?
4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid has a molecular weight of 331.80 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid is sourced from PubChem (CID 43235820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).