2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid

C12H11ClN2O4S2 — CID 107089983

IUPAC2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
SMILESCc1csc(CNS(=O)(=O)c2ccc(C(=O)O)c(Cl)c2)n1
InChIInChI=1S/C12H11ClN2O4S2/c1-7-6-20-11(15-7)5-14-21(18,19)8-2-3-9(12(16)17)10(13)4-8/h2-4,6,14H,5H2,1H3,(H,16,17)
InChIKeyWSTAPAITVDNADA-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.28
Rot. Bonds5

About 2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid

2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid (PubChem CID 107089983) has the molecular formula C12H11ClN2O4S2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
PubChem CID107089983
Molecular FormulaC12H11ClN2O4S2
Molecular Weight346.82 g/mol
Exact Mass345.98
IUPAC Name2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
SMILESCc1csc(CNS(=O)(=O)c2ccc(C(=O)O)c(Cl)c2)n1
InChIInChI=1S/C12H11ClN2O4S2/c1-7-6-20-11(15-7)5-14-21(18,19)8-2-3-9(12(16)17)10(13)4-8/h2-4,6,14H,5H2,1H3,(H,16,17)
InChIKeyWSTAPAITVDNADA-UHFFFAOYSA-N
XLogP2.28
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 61044195
3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 55904028
2-[4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]phenyl]acetic acid
CID 61043593
2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid
CID 113437740
5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64608654
6-amino-5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide
CID 64601874
2-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid
CID 104654766
2-chloro-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]benzoic acid
CID 107089976
2,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 47137013
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47017062
4-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 61044081
3-amino-4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61125479

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid (CID 107089983) is 2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid is Cc1csc(CNS(=O)(=O)c2ccc(C(=O)O)c(Cl)c2)n1.
What is the InChIKey of 2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid?
The InChIKey is WSTAPAITVDNADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S2/c1-7-6-20-11(15-7)5-14-21(18,19)8-2-3-9(12(16)17)10(13)4-8/h2-4,6,14H,5H2,1H3,(H,16,17).
What are the key properties of 2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid?
2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid has a molecular weight of 346.82 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid is sourced from PubChem (CID 107089983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).