3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide

C14H21N3O3S — CID 63044303

IUPAC3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C14H21N3O3S/c1-21(19,20)17-13-7-5-12(6-8-13)16-14(18)10-3-2-4-11(15)9-10/h5-8,10-11,17H,2-4,9,15H2,1H3,(H,16,18)
InChIKeyWFSJTFRTSVXALW-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.51
Rot. Bonds4

About 3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide

3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide (PubChem CID 63044303) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
PubChem CID63044303
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C14H21N3O3S/c1-21(19,20)17-13-7-5-12(6-8-13)16-14(18)10-3-2-4-11(15)9-10/h5-8,10-11,17H,2-4,9,15H2,1H3,(H,16,18)
InChIKeyWFSJTFRTSVXALW-UHFFFAOYSA-N
XLogP1.51
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide 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

3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119711119
3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 63042501
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119800489
3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119704020
3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119694456
3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide
CID 119769506
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119769505
3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 63041991
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 63043789

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide (CID 63044303) is 3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide is CS(=O)(=O)Nc1ccc(NC(=O)C2CCCC(N)C2)cc1.
What is the InChIKey of 3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide?
The InChIKey is WFSJTFRTSVXALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-21(19,20)17-13-7-5-12(6-8-13)16-14(18)10-3-2-4-11(15)9-10/h5-8,10-11,17H,2-4,9,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide?
3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 63044303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).