2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid

C12H10ClNO4S2 — CID 47390474

IUPAC2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(Cl)c2)s1
InChIInChI=1S/C12H10ClNO4S2/c1-7-2-5-11(19-7)20(17,18)14-8-3-4-9(12(15)16)10(13)6-8/h2-6,14H,1H3,(H,15,16)
InChIKeyDVEFVPMIDQJQNB-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.21
Rot. Bonds4

About 2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid

2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid (PubChem CID 47390474) has the molecular formula C12H10ClNO4S2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid
PubChem CID47390474
Molecular FormulaC12H10ClNO4S2
Molecular Weight331.80 g/mol
Exact Mass330.97
IUPAC Name2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(Cl)c2)s1
InChIInChI=1S/C12H10ClNO4S2/c1-7-2-5-11(19-7)20(17,18)14-8-3-4-9(12(15)16)10(13)6-8/h2-6,14H,1H3,(H,15,16)
InChIKeyDVEFVPMIDQJQNB-UHFFFAOYSA-N
XLogP3.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191076
4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid
CID 103099684
N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064
N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide
CID 18225962
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-methylthiophene-2-sulfonamide
CID 47029422
2-chloro-4-(ethylsulfamoylamino)benzoic acid
CID 114805820
3-[4-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid
CID 115339524
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986153
3-[3-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid
CID 115339486
2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 60860714
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986064

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid?
The IUPAC name of 2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid (CID 47390474) is 2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(Cl)c2)s1.
What is the InChIKey of 2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid?
The InChIKey is DVEFVPMIDQJQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4S2/c1-7-2-5-11(19-7)20(17,18)14-8-3-4-9(12(15)16)10(13)6-8/h2-6,14H,1H3,(H,15,16).
What are the key properties of 2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid?
2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid has a molecular weight of 331.80 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 47390474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).