4-chloro-3-(propan-2-ylsulfamoyl)benzoic acid

C10H12ClNO4S — CID 974897

IUPAC4-chloro-3-(propan-2-ylsulfamoyl)benzoic acid
SMILESCC(C)NS(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C10H12ClNO4S/c1-6(2)12-17(15,16)9-5-7(10(13)14)3-4-8(9)11/h3-6,12H,1-2H3,(H,13,14)
InChIKeyZQUIOPNEGHXHCB-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.72
Rot. Bonds4

About 4-chloro-3-(propan-2-ylsulfamoyl)benzoic acid

4-chloro-3-(propan-2-ylsulfamoyl)benzoic acid (PubChem CID 974897) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is 4-chloro-3-(propan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-3-(propan-2-ylsulfamoyl)benzoic acid
PubChem CID974897
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Name4-chloro-3-(propan-2-ylsulfamoyl)benzoic acid
SMILESCC(C)NS(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C10H12ClNO4S/c1-6(2)12-17(15,16)9-5-7(10(13)14)3-4-8(9)11/h3-6,12H,1-2H3,(H,13,14)
InChIKeyZQUIOPNEGHXHCB-UHFFFAOYSA-N
XLogP1.72
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(propan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 4-chloro-3-(propan-2-ylsulfamoyl)benzoic acid (CID 974897) is 4-chloro-3-(propan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-chloro-3-(propan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 4-chloro-3-(propan-2-ylsulfamoyl)benzoic acid is CC(C)NS(=O)(=O)c1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-(propan-2-ylsulfamoyl)benzoic acid?
The InChIKey is ZQUIOPNEGHXHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c1-6(2)12-17(15,16)9-5-7(10(13)14)3-4-8(9)11/h3-6,12H,1-2H3,(H,13,14).
What are the key properties of 4-chloro-3-(propan-2-ylsulfamoyl)benzoic acid?
4-chloro-3-(propan-2-ylsulfamoyl)benzoic acid has a molecular weight of 277.73 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(propan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 974897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).