3-amino-N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide;hydrochloride

C20H32ClN3O3S — CID 119793490

IUPAC3-amino-N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)C2CCCC(N)C2)c1.Cl
InChIInChI=1S/C20H31N3O3S.ClH/c1-23(18-10-3-2-4-11-18)27(25,26)19-12-6-9-17(14-19)22-20(24)15-7-5-8-16(21)13-15;/h6,9,12,14-16,18H,2-5,7-8,10-11,13,21H2,1H3,(H,22,24);1H
InChIKeyMWXZJXNECGRSQR-UHFFFAOYSA-N
MW430.01 g/mol
LogP3.52
Rot. Bonds5

About 3-amino-N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119793490) has the molecular formula C20H32ClN3O3S and a molecular weight of 430.01 g/mol. Its IUPAC name is 3-amino-N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119793490
Molecular FormulaC20H32ClN3O3S
Molecular Weight430.01 g/mol
Exact Mass429.19
IUPAC Name3-amino-N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)C2CCCC(N)C2)c1.Cl
InChIInChI=1S/C20H31N3O3S.ClH/c1-23(18-10-3-2-4-11-18)27(25,26)19-12-6-9-17(14-19)22-20(24)15-7-5-8-16(21)13-15;/h6,9,12,14-16,18H,2-5,7-8,10-11,13,21H2,1H3,(H,22,24);1H
InChIKeyMWXZJXNECGRSQR-UHFFFAOYSA-N
XLogP3.52
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.01
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-(methylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119731808
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CID 119688782
3-amino-N-[3-[methyl(phenyl)sulfamoyl]phenyl]cyclopentane-1-carboxamide
CID 119676593
3-amino-N-[3-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731804
N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 119329159
N-(3-sulfamoylphenyl)cycloheptanecarboxamide
CID 62590757
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride
CID 119709587
3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119708471
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864402
3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 63042501
3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide
CID 63042853

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119793490) is 3-amino-N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide;hydrochloride is CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)C2CCCC(N)C2)c1.Cl.
What is the InChIKey of 3-amino-N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is MWXZJXNECGRSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S.ClH/c1-23(18-10-3-2-4-11-18)27(25,26)19-12-6-9-17(14-19)22-20(24)15-7-5-8-16(21)13-15;/h6,9,12,14-16,18H,2-5,7-8,10-11,13,21H2,1H3,(H,22,24);1H.
What are the key properties of 3-amino-N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 430.01 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119793490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).