3-amino-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride

C15H21ClF3N3O3S — CID 119775811

IUPAC3-amino-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C15H20F3N3O3S.ClH/c1-25(23,24)21-12-6-5-10(15(16,17)18)8-13(12)20-14(22)9-3-2-4-11(19)7-9;/h5-6,8-9,11,21H,2-4,7,19H2,1H3,(H,20,22);1H
InChIKeyRMHIRNQUMYOHPK-UHFFFAOYSA-N
MW415.87 g/mol
LogP2.95
Rot. Bonds4

About 3-amino-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119775811) has the molecular formula C15H21ClF3N3O3S and a molecular weight of 415.87 g/mol. Its IUPAC name is 3-amino-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119775811
Molecular FormulaC15H21ClF3N3O3S
Molecular Weight415.87 g/mol
Exact Mass415.09
IUPAC Name3-amino-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C15H20F3N3O3S.ClH/c1-25(23,24)21-12-6-5-10(15(16,17)18)8-13(12)20-14(22)9-3-2-4-11(19)7-9;/h5-6,8-9,11,21H,2-4,7,19H2,1H3,(H,20,22);1H
InChIKeyRMHIRNQUMYOHPK-UHFFFAOYSA-N
XLogP2.95
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.87
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119704020
3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 63044303
N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide
CID 113093375
3-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 66033051
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 166355925
3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119675270
3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269
N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 119707704
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide
CID 119775820
3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 66008946
3-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 66009570
N-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride
CID 119711154

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119775811) is 3-amino-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is RMHIRNQUMYOHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3S.ClH/c1-25(23,24)21-12-6-5-10(15(16,17)18)8-13(12)20-14(22)9-3-2-4-11(19)7-9;/h5-6,8-9,11,21H,2-4,7,19H2,1H3,(H,20,22);1H.
What are the key properties of 3-amino-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 415.87 g/mol, XLogP of 2.95, 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)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119775811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).