1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride

C14H22ClN3O3S — CID 119308070

IUPAC1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2cccc(CS(N)(=O)=O)c2)CCCCC1
InChIInChI=1S/C14H21N3O3S.ClH/c15-14(7-2-1-3-8-14)13(18)17-12-6-4-5-11(9-12)10-21(16,19)20;/h4-6,9H,1-3,7-8,10,15H2,(H,17,18)(H2,16,19,20);1H
InChIKeyCKZYIXCQSDGXHQ-UHFFFAOYSA-N
MW347.87 g/mol
LogP1.50
Rot. Bonds4

About 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119308070) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119308070
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC Name1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2cccc(CS(N)(=O)=O)c2)CCCCC1
InChIInChI=1S/C14H21N3O3S.ClH/c15-14(7-2-1-3-8-14)13(18)17-12-6-4-5-11(9-12)10-21(16,19)20;/h4-6,9H,1-3,7-8,10,15H2,(H,17,18)(H2,16,19,20);1H
InChIKeyCKZYIXCQSDGXHQ-UHFFFAOYSA-N
XLogP1.50
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119308071
1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119324028
1-amino-N-[3-(methoxymethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288741
1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide
CID 119784532
1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119327475
1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119306290
1-amino-N-[3-(methylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119293957
N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
CID 119280076
1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119869772
methyl 2-[[3-[(1-aminocyclopentanecarbonyl)amino]phenyl]methylsulfanyl]acetate;hydrochloride
CID 119318856
1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119282587
3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid
CID 61157848

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119308070) is 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2cccc(CS(N)(=O)=O)c2)CCCCC1.
What is the InChIKey of 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is CKZYIXCQSDGXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c15-14(7-2-1-3-8-14)13(18)17-12-6-4-5-11(9-12)10-21(16,19)20;/h4-6,9H,1-3,7-8,10,15H2,(H,17,18)(H2,16,19,20);1H.
What are the key properties of 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119308070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).