3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]cyclohexane-1-carboxamide;hydrochloride

C17H26ClF2N3O3S — CID 119798887

IUPAC3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)(C)NS(=O)(=O)c1cc(NC(=O)C2CCCC(N)C2)c(F)cc1F.Cl
InChIInChI=1S/C17H25F2N3O3S.ClH/c1-17(2,3)22-26(24,25)15-9-14(12(18)8-13(15)19)21-16(23)10-5-4-6-11(20)7-10;/h8-11,22H,4-7,20H2,1-3H3,(H,21,23);1H
InChIKeyUATPWIWZQUMAJW-UHFFFAOYSA-N
MW425.93 g/mol
LogP2.92
Rot. Bonds4

About 3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119798887) has the molecular formula C17H26ClF2N3O3S and a molecular weight of 425.93 g/mol. Its IUPAC name is 3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119798887
Molecular FormulaC17H26ClF2N3O3S
Molecular Weight425.93 g/mol
Exact Mass425.14
IUPAC Name3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)(C)NS(=O)(=O)c1cc(NC(=O)C2CCCC(N)C2)c(F)cc1F.Cl
InChIInChI=1S/C17H25F2N3O3S.ClH/c1-17(2,3)22-26(24,25)15-9-14(12(18)8-13(15)19)21-16(23)10-5-4-6-11(20)7-10;/h8-11,22H,4-7,20H2,1-3H3,(H,21,23);1H
InChIKeyUATPWIWZQUMAJW-UHFFFAOYSA-N
XLogP2.92
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.93
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-amino-N-[3-(tert-butylsulfamoyl)phenyl]cyclohexane-1-carboxamide
CID 119688782
N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride
CID 119705036
3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
CID 55146164
3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide
CID 107641644
3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119704020
3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119707997
3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]cyclopentane-1-carboxamide
CID 119798958
3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide
CID 63042162
3-amino-N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119775811
(2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide
CID 119798894

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119798887) is 3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]cyclohexane-1-carboxamide;hydrochloride is CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C2CCCC(N)C2)c(F)cc1F.Cl.
What is the InChIKey of 3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is UATPWIWZQUMAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O3S.ClH/c1-17(2,3)22-26(24,25)15-9-14(12(18)8-13(15)19)21-16(23)10-5-4-6-11(20)7-10;/h8-11,22H,4-7,20H2,1-3H3,(H,21,23);1H.
What are the key properties of 3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 425.93 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119798887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).