2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid

C10H7ClN2O4S2 — CID 28536256

IUPAC2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2nccs2)ccc1Cl
InChIInChI=1S/C10H7ClN2O4S2/c11-8-2-1-6(5-7(8)9(14)15)19(16,17)13-10-12-3-4-18-10/h1-5H,(H,12,13)(H,14,15)
InChIKeyPGUBVFDNBMUUNL-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.30
Rot. Bonds4

About 2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid

2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid (PubChem CID 28536256) has the molecular formula C10H7ClN2O4S2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
PubChem CID28536256
Molecular FormulaC10H7ClN2O4S2
Molecular Weight318.76 g/mol
Exact Mass317.95
IUPAC Name2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2nccs2)ccc1Cl
InChIInChI=1S/C10H7ClN2O4S2/c11-8-2-1-6(5-7(8)9(14)15)19(16,17)13-10-12-3-4-18-10/h1-5H,(H,12,13)(H,14,15)
InChIKeyPGUBVFDNBMUUNL-UHFFFAOYSA-N
XLogP2.30
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 90474318
5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43909921
4-chloro-3-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031796
2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794803
2-chloro-5-(1H-imidazol-2-ylsulfamoyl)benzoic acid
CID 55212179
4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031911
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 8762849
4-[[(R)-amino(phenyl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134602272
1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914201
1-(3,4-dichlorobenzoyl)-N-(1,3-thiazol-2-yl)indole-5-sulfonamide
CID 59432877
2,4,5-trichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3577500
3-chloro-4-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031898

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid (CID 28536256) is 2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2nccs2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
The InChIKey is PGUBVFDNBMUUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O4S2/c11-8-2-1-6(5-7(8)9(14)15)19(16,17)13-10-12-3-4-18-10/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid has a molecular weight of 318.76 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 28536256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).