3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride

C14H22ClN3O3S — CID 119704020

IUPAC3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-21(19,20)17-13-8-3-2-7-12(13)16-14(18)10-5-4-6-11(15)9-10;/h2-3,7-8,10-11,17H,4-6,9,15H2,1H3,(H,16,18);1H
InChIKeyHSDGXMCHADWSNX-UHFFFAOYSA-N
MW347.87 g/mol
LogP1.94
Rot. Bonds4

About 3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119704020) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is 3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119704020
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC Name3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-21(19,20)17-13-8-3-2-7-12(13)16-14(18)10-5-4-6-11(15)9-10;/h2-3,7-8,10-11,17H,4-6,9,15H2,1H3,(H,16,18);1H
InChIKeyHSDGXMCHADWSNX-UHFFFAOYSA-N
XLogP1.94
TPSA101.29 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 ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
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3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119704020) is 3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride is CS(=O)(=O)Nc1ccccc1NC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is HSDGXMCHADWSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-21(19,20)17-13-8-3-2-7-12(13)16-14(18)10-5-4-6-11(15)9-10;/h2-3,7-8,10-11,17H,4-6,9,15H2,1H3,(H,16,18);1H.
What are the key properties of 3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119704020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).