[2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate

C16H21ClN2O5S — CID 7994086

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NCC2CCCCC2)c1
InChIInChI=1S/C16H21ClN2O5S/c17-14-7-6-12(25(18,22)23)8-13(14)16(21)24-10-15(20)19-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,19,20)(H2,18,22,23)
InChIKeySRBFVPRLYGDTPG-UHFFFAOYSA-N
MW388.87 g/mol
LogP1.84
Rot. Bonds6

About [2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate

[2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate (PubChem CID 7994086) has the molecular formula C16H21ClN2O5S and a molecular weight of 388.87 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
PubChem CID7994086
Molecular FormulaC16H21ClN2O5S
Molecular Weight388.87 g/mol
Exact Mass388.09
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NCC2CCCCC2)c1
InChIInChI=1S/C16H21ClN2O5S/c17-14-7-6-12(25(18,22)23)8-13(14)16(21)24-10-15(20)19-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,19,20)(H2,18,22,23)
InChIKeySRBFVPRLYGDTPG-UHFFFAOYSA-N
XLogP1.84
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 11920413
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 18277091
cyclopentyl 2-chloro-5-sulfamoylbenzoate
CID 65381040
4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride
CID 65371129
[2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 55320965
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-chloro-5-sulfamoylbenzoate
CID 7993837
N-(2-chloro-5-sulfamoylphenyl)-2-cyclohexylacetamide
CID 61130512
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994131
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 55320891
[2-(4-methoxyanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994064
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-chloro-5-[(4-iodophenyl)sulfamoyl]benzoate
CID 25042472
2-chloro-N-[(3-methylcyclopentyl)methyl]-5-sulfamoylbenzamide
CID 107415687

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate (CID 7994086) is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate is NS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NCC2CCCCC2)c1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate?
The InChIKey is SRBFVPRLYGDTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O5S/c17-14-7-6-12(25(18,22)23)8-13(14)16(21)24-10-15(20)19-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,19,20)(H2,18,22,23).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate?
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate has a molecular weight of 388.87 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate is sourced from PubChem (CID 7994086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).