3-chloro-4-[[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]benzoic acid

C15H19ClN2O5S — CID 136531118

IUPAC3-chloro-4-[[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESO=C(CNS(=O)(=O)c1ccc(C(=O)O)cc1Cl)NC1CCCCC1
InChIInChI=1S/C15H19ClN2O5S/c16-12-8-10(15(20)21)6-7-13(12)24(22,23)17-9-14(19)18-11-4-2-1-3-5-11/h6-8,11,17H,1-5,9H2,(H,18,19)(H,20,21)
InChIKeyZMQGXQUQHQPDMO-UHFFFAOYSA-N
MW374.85 g/mol
LogP1.77
Rot. Bonds6

About 3-chloro-4-[[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]benzoic acid

3-chloro-4-[[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]benzoic acid (PubChem CID 136531118) has the molecular formula C15H19ClN2O5S and a molecular weight of 374.85 g/mol. Its IUPAC name is 3-chloro-4-[[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-chloro-4-[[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]benzoic acid
PubChem CID136531118
Molecular FormulaC15H19ClN2O5S
Molecular Weight374.85 g/mol
Exact Mass374.07
IUPAC Name3-chloro-4-[[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESO=C(CNS(=O)(=O)c1ccc(C(=O)O)cc1Cl)NC1CCCCC1
InChIInChI=1S/C15H19ClN2O5S/c16-12-8-10(15(20)21)6-7-13(12)24(22,23)17-9-14(19)18-11-4-2-1-3-5-11/h6-8,11,17H,1-5,9H2,(H,18,19)(H,20,21)
InChIKeyZMQGXQUQHQPDMO-UHFFFAOYSA-N
XLogP1.77
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 81466367
N-cyclohexyl-2-[(2,4-difluorophenyl)sulfonylamino]acetamide
CID 51099663
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide
CID 112990970
3-chloro-4-[2-(cyclobutylamino)-2-oxoethoxy]benzoic acid
CID 146171644
N-cycloheptyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide
CID 112995017
4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214151
N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112995022
3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-cyclohexylpropanamide
CID 55914836
2-[(2-bromo-6-chloro-4-fluorophenyl)sulfonylamino]-N-cyclopentylacetamide
CID 154858969
[2-(cyclohexylamino)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 2599580
4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid
CID 79187274
3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The IUPAC name of 3-chloro-4-[[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]benzoic acid (CID 136531118) is 3-chloro-4-[[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 3-chloro-4-[[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 3-chloro-4-[[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]benzoic acid is O=C(CNS(=O)(=O)c1ccc(C(=O)O)cc1Cl)NC1CCCCC1.
What is the InChIKey of 3-chloro-4-[[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The InChIKey is ZMQGXQUQHQPDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O5S/c16-12-8-10(15(20)21)6-7-13(12)24(22,23)17-9-14(19)18-11-4-2-1-3-5-11/h6-8,11,17H,1-5,9H2,(H,18,19)(H,20,21).
What are the key properties of 3-chloro-4-[[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
3-chloro-4-[[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]benzoic acid has a molecular weight of 374.85 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 136531118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).