2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid

C11H14ClNO6S — CID 106185797

IUPAC2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid
SMILESCOCC(CO)NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C11H14ClNO6S/c1-19-6-7(5-14)13-20(17,18)8-2-3-10(12)9(4-8)11(15)16/h2-4,7,13-14H,5-6H2,1H3,(H,15,16)
InChIKeyKIGUZBYFRQWGJV-UHFFFAOYSA-N
MW323.75 g/mol
LogP0.32
Rot. Bonds7

About 2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid

2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid (PubChem CID 106185797) has the molecular formula C11H14ClNO6S and a molecular weight of 323.75 g/mol. Its IUPAC name is 2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid
PubChem CID106185797
Molecular FormulaC11H14ClNO6S
Molecular Weight323.75 g/mol
Exact Mass323.02
IUPAC Name2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid
SMILESCOCC(CO)NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C11H14ClNO6S/c1-19-6-7(5-14)13-20(17,18)8-2-3-10(12)9(4-8)11(15)16/h2-4,7,13-14H,5-6H2,1H3,(H,15,16)
InChIKeyKIGUZBYFRQWGJV-UHFFFAOYSA-N
XLogP0.32
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 114094501
2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid
CID 82706672
5-(1-hydroxybutan-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 43498968
5-[(1-carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid
CID 5120365
N-(1-bromo-3-methoxypropan-2-yl)-3,4-dichlorobenzenesulfonamide
CID 106185125
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-ethoxybenzoic acid
CID 65314855
4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106185920
5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106185878
2-chloro-5-(2,2-dimethoxyethylsulfamoyl)benzoic acid
CID 78907701
5-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-2-methylbenzoic acid
CID 107216134
N-(4-bromo-1-methoxybutan-2-yl)-3,4-dichlorobenzenesulfonamide
CID 114151678
2-chloro-5-(2-methoxyethylsulfonyl)benzoic acid
CID 43141002

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid (CID 106185797) is 2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid is COCC(CO)NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid?
The InChIKey is KIGUZBYFRQWGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO6S/c1-19-6-7(5-14)13-20(17,18)8-2-3-10(12)9(4-8)11(15)16/h2-4,7,13-14H,5-6H2,1H3,(H,15,16).
What are the key properties of 2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid?
2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid has a molecular weight of 323.75 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 106185797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).