3-amino-4-[(1-methylcyclohexyl)sulfamoyl]benzamide

C14H21N3O3S — CID 81466289

IUPAC3-amino-4-[(1-methylcyclohexyl)sulfamoyl]benzamide
SMILESCC1(NS(=O)(=O)c2ccc(C(N)=O)cc2N)CCCCC1
InChIInChI=1S/C14H21N3O3S/c1-14(7-3-2-4-8-14)17-21(19,20)12-6-5-10(13(16)18)9-11(12)15/h5-6,9,17H,2-4,7-8,15H2,1H3,(H2,16,18)
InChIKeyVFOMRFOCIFWLHN-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.37
Rot. Bonds4

About 3-amino-4-[(1-methylcyclohexyl)sulfamoyl]benzamide

3-amino-4-[(1-methylcyclohexyl)sulfamoyl]benzamide (PubChem CID 81466289) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-amino-4-[(1-methylcyclohexyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(1-methylcyclohexyl)sulfamoyl]benzamide
PubChem CID81466289
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name3-amino-4-[(1-methylcyclohexyl)sulfamoyl]benzamide
SMILESCC1(NS(=O)(=O)c2ccc(C(N)=O)cc2N)CCCCC1
InChIInChI=1S/C14H21N3O3S/c1-14(7-3-2-4-8-14)17-21(19,20)12-6-5-10(13(16)18)9-11(12)15/h5-6,9,17H,2-4,7-8,15H2,1H3,(H2,16,18)
InChIKeyVFOMRFOCIFWLHN-UHFFFAOYSA-N
XLogP1.37
TPSA115.28 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 ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide
CID 113485239
2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485273
3-amino-4-[(2-methyloxolan-2-yl)methylsulfamoyl]benzamide
CID 81457835
3-amino-4-(cyclobutylsulfamoyl)benzamide
CID 81471203
2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 61364584
3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide
CID 107213320
3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide
CID 81470893
3-amino-4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
CID 81457711
5-amino-2-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485258
3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide
CID 106180456
3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide
CID 81466871
4-amino-N-(1-methylcyclohexyl)benzenesulfonamide
CID 55207677

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(1-methylcyclohexyl)sulfamoyl]benzamide?
The IUPAC name of 3-amino-4-[(1-methylcyclohexyl)sulfamoyl]benzamide (CID 81466289) is 3-amino-4-[(1-methylcyclohexyl)sulfamoyl]benzamide.
What is the SMILES notation for 3-amino-4-[(1-methylcyclohexyl)sulfamoyl]benzamide?
The canonical SMILES for 3-amino-4-[(1-methylcyclohexyl)sulfamoyl]benzamide is CC1(NS(=O)(=O)c2ccc(C(N)=O)cc2N)CCCCC1.
What is the InChIKey of 3-amino-4-[(1-methylcyclohexyl)sulfamoyl]benzamide?
The InChIKey is VFOMRFOCIFWLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-14(7-3-2-4-8-14)17-21(19,20)12-6-5-10(13(16)18)9-11(12)15/h5-6,9,17H,2-4,7-8,15H2,1H3,(H2,16,18).
What are the key properties of 3-amino-4-[(1-methylcyclohexyl)sulfamoyl]benzamide?
3-amino-4-[(1-methylcyclohexyl)sulfamoyl]benzamide has a molecular weight of 311.41 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(1-methylcyclohexyl)sulfamoyl]benzamide is sourced from PubChem (CID 81466289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).