1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride

C16H23ClFN3O3S — CID 119331454

IUPAC1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CCCCC1
InChIInChI=1S/C16H22FN3O3S.ClH/c17-13-7-6-12(10-14(13)24(22,23)20-11-4-5-11)19-15(21)16(18)8-2-1-3-9-16;/h6-7,10-11,20H,1-5,8-9,18H2,(H,19,21);1H
InChIKeyJSKHMAKFXFVGCL-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.29
Rot. Bonds5

About 1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119331454) has the molecular formula C16H23ClFN3O3S and a molecular weight of 391.90 g/mol. Its IUPAC name is 1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119331454
Molecular FormulaC16H23ClFN3O3S
Molecular Weight391.90 g/mol
Exact Mass391.11
IUPAC Name1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CCCCC1
InChIInChI=1S/C16H22FN3O3S.ClH/c17-13-7-6-12(10-14(13)24(22,23)20-11-4-5-11)19-15(21)16(18)8-2-1-3-9-16;/h6-7,10-11,20H,1-5,8-9,18H2,(H,19,21);1H
InChIKeyJSKHMAKFXFVGCL-UHFFFAOYSA-N
XLogP2.29
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide
CID 119331491
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119797364
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclopropane-1-carboxamide
CID 119797467
2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride
CID 119331434
1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119281111
1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119281826
1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115733761
1-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 119265809
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119280057
1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide
CID 65436937
1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide
CID 104778247

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119331454) is 1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CCCCC1.
What is the InChIKey of 1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is JSKHMAKFXFVGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3S.ClH/c17-13-7-6-12(10-14(13)24(22,23)20-11-4-5-11)19-15(21)16(18)8-2-1-3-9-16;/h6-7,10-11,20H,1-5,8-9,18H2,(H,19,21);1H.
What are the key properties of 1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119331454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).