methyl 3-[(4-aminocyclohexyl)sulfamoyl]-4-methylbenzoate;hydrochloride

C15H23ClN2O4S — CID 119970907

IUPACmethyl 3-[(4-aminocyclohexyl)sulfamoyl]-4-methylbenzoate;hydrochloride
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)NC2CCC(N)CC2)c1.Cl
InChIInChI=1S/C15H22N2O4S.ClH/c1-10-3-4-11(15(18)21-2)9-14(10)22(19,20)17-13-7-5-12(16)6-8-13;/h3-4,9,12-13,17H,5-8,16H2,1-2H3;1H
InChIKeyUMTACXSZWOONQX-UHFFFAOYSA-N
MW362.88 g/mol
LogP1.75
Rot. Bonds4

About methyl 3-[(4-aminocyclohexyl)sulfamoyl]-4-methylbenzoate;hydrochloride

methyl 3-[(4-aminocyclohexyl)sulfamoyl]-4-methylbenzoate;hydrochloride (PubChem CID 119970907) has the molecular formula C15H23ClN2O4S and a molecular weight of 362.88 g/mol. Its IUPAC name is methyl 3-[(4-aminocyclohexyl)sulfamoyl]-4-methylbenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[(4-aminocyclohexyl)sulfamoyl]-4-methylbenzoate;hydrochloride
PubChem CID119970907
Molecular FormulaC15H23ClN2O4S
Molecular Weight362.88 g/mol
Exact Mass362.11
IUPAC Namemethyl 3-[(4-aminocyclohexyl)sulfamoyl]-4-methylbenzoate;hydrochloride
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)NC2CCC(N)CC2)c1.Cl
InChIInChI=1S/C15H22N2O4S.ClH/c1-10-3-4-11(15(18)21-2)9-14(10)22(19,20)17-13-7-5-12(16)6-8-13;/h3-4,9,12-13,17H,5-8,16H2,1-2H3;1H
InChIKeyUMTACXSZWOONQX-UHFFFAOYSA-N
XLogP1.75
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 4-chloro-3-(piperidin-4-ylsulfamoyl)benzoate
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methyl 3-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-4-methylbenzoate
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methyl 4-[(4-aminocyclohexyl)sulfamoyl]-2-chlorobenzoate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-aminocyclohexyl)sulfamoyl]-4-methylbenzoate;hydrochloride?
The IUPAC name of methyl 3-[(4-aminocyclohexyl)sulfamoyl]-4-methylbenzoate;hydrochloride (CID 119970907) is methyl 3-[(4-aminocyclohexyl)sulfamoyl]-4-methylbenzoate;hydrochloride.
What is the SMILES notation for methyl 3-[(4-aminocyclohexyl)sulfamoyl]-4-methylbenzoate;hydrochloride?
The canonical SMILES for methyl 3-[(4-aminocyclohexyl)sulfamoyl]-4-methylbenzoate;hydrochloride is COC(=O)c1ccc(C)c(S(=O)(=O)NC2CCC(N)CC2)c1.Cl.
What is the InChIKey of methyl 3-[(4-aminocyclohexyl)sulfamoyl]-4-methylbenzoate;hydrochloride?
The InChIKey is UMTACXSZWOONQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S.ClH/c1-10-3-4-11(15(18)21-2)9-14(10)22(19,20)17-13-7-5-12(16)6-8-13;/h3-4,9,12-13,17H,5-8,16H2,1-2H3;1H.
What are the key properties of methyl 3-[(4-aminocyclohexyl)sulfamoyl]-4-methylbenzoate;hydrochloride?
methyl 3-[(4-aminocyclohexyl)sulfamoyl]-4-methylbenzoate;hydrochloride has a molecular weight of 362.88 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-aminocyclohexyl)sulfamoyl]-4-methylbenzoate;hydrochloride is sourced from PubChem (CID 119970907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).