4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid

C12H14ClNO5S — CID 43578756

IUPAC4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(S(=O)(=O)N(CCO)C2CC2)c1
InChIInChI=1S/C12H14ClNO5S/c13-10-4-1-8(12(16)17)7-11(10)20(18,19)14(5-6-15)9-2-3-9/h1,4,7,9,15H,2-3,5-6H2,(H,16,17)
InChIKeyWOTLBDMKOVKMKJ-UHFFFAOYSA-N
MW319.77 g/mol
LogP1.18
Rot. Bonds6

About 4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid

4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid (PubChem CID 43578756) has the molecular formula C12H14ClNO5S and a molecular weight of 319.77 g/mol. Its IUPAC name is 4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid
PubChem CID43578756
Molecular FormulaC12H14ClNO5S
Molecular Weight319.77 g/mol
Exact Mass319.03
IUPAC Name4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(S(=O)(=O)N(CCO)C2CC2)c1
InChIInChI=1S/C12H14ClNO5S/c13-10-4-1-8(12(16)17)7-11(10)20(18,19)14(5-6-15)9-2-3-9/h1,4,7,9,15H,2-3,5-6H2,(H,16,17)
InChIKeyWOTLBDMKOVKMKJ-UHFFFAOYSA-N
XLogP1.18
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-methylbenzoic acid
CID 43578757
3-[cyclobutyl(2-hydroxyethyl)sulfamoyl]-4-fluorobenzoic acid
CID 102861058
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577489
3-[cyclopropyl(propyl)sulfamoyl]-4-methylbenzoic acid
CID 43270265
2,3-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577659
2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 91662378
4-chloro-3-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271122
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
3-[benzyl-[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]-4-chlorobenzoic acid
CID 129360450
3-[cyclopropyl(2-methoxyethyl)sulfamoyl]-4-fluorobenzoic acid
CID 60951447
2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 43577625
2-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 102675724

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid (CID 43578756) is 4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid is O=C(O)c1ccc(Cl)c(S(=O)(=O)N(CCO)C2CC2)c1.
What is the InChIKey of 4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid?
The InChIKey is WOTLBDMKOVKMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO5S/c13-10-4-1-8(12(16)17)7-11(10)20(18,19)14(5-6-15)9-2-3-9/h1,4,7,9,15H,2-3,5-6H2,(H,16,17).
What are the key properties of 4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid?
4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid has a molecular weight of 319.77 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43578756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).