4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate

C10H11ClNO5S- — CID 7470552

IUPAC4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate
SMILESCN(CCO)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl
InChIInChI=1S/C10H12ClNO5S/c1-12(4-5-13)18(16,17)9-6-7(10(14)15)2-3-8(9)11/h2-3,6,13H,4-5H2,1H3,(H,14,15)/p-1
InChIKeyMMFXZGDUIQNFHU-UHFFFAOYSA-M
MW292.72 g/mol
LogP-0.68
Rot. Bonds5

About 4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate

4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate (PubChem CID 7470552) has the molecular formula C10H11ClNO5S- and a molecular weight of 292.72 g/mol. Its IUPAC name is 4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate
PubChem CID7470552
Molecular FormulaC10H11ClNO5S-
Molecular Weight292.72 g/mol
Exact Mass292.01
IUPAC Name4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate
SMILESCN(CCO)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl
InChIInChI=1S/C10H12ClNO5S/c1-12(4-5-13)18(16,17)9-6-7(10(14)15)2-3-8(9)11/h2-3,6,13H,4-5H2,1H3,(H,14,15)/p-1
InChIKeyMMFXZGDUIQNFHU-UHFFFAOYSA-M
XLogP-0.68
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60962314
4-chloro-3-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271122
4-chloro-3-[ethyl(methyl)sulfamoyl]benzoic acid
CID 43263286
4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide
CID 39363651
3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43345894
4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 43578756
4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid
CID 43235943
methyl 3-[(2-chloro-5-methylsulfonylphenyl)sulfonyl-methylamino]propanoate
CID 55905314
5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorobenzoate
CID 4577559
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
3-[2-hydroxyethyl(methyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 54876272
2-[(2-chloro-5-methylsulfonylphenyl)sulfonyl-methylamino]acetic acid
CID 43245200

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate?
The IUPAC name of 4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate (CID 7470552) is 4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate.
What is the SMILES notation for 4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate?
The canonical SMILES for 4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate is CN(CCO)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl.
What is the InChIKey of 4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate?
The InChIKey is MMFXZGDUIQNFHU-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12ClNO5S/c1-12(4-5-13)18(16,17)9-6-7(10(14)15)2-3-8(9)11/h2-3,6,13H,4-5H2,1H3,(H,14,15)/p-1.
What are the key properties of 4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate?
4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate has a molecular weight of 292.72 g/mol, XLogP of -0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 7470552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).