4-[(2-aminophenyl)sulfonylamino]cyclohexane-1-carboxamide

C13H19N3O3S — CID 61125880

IUPAC4-[(2-aminophenyl)sulfonylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NS(=O)(=O)c2ccccc2N)CC1
InChIInChI=1S/C13H19N3O3S/c14-11-3-1-2-4-12(11)20(18,19)16-10-7-5-9(6-8-10)13(15)17/h1-4,9-10,16H,5-8,14H2,(H2,15,17)
InChIKeyNXAPUVDDULXJEL-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.59
Rot. Bonds4

About 4-[(2-aminophenyl)sulfonylamino]cyclohexane-1-carboxamide

4-[(2-aminophenyl)sulfonylamino]cyclohexane-1-carboxamide (PubChem CID 61125880) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[(2-aminophenyl)sulfonylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2-aminophenyl)sulfonylamino]cyclohexane-1-carboxamide
PubChem CID61125880
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name4-[(2-aminophenyl)sulfonylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NS(=O)(=O)c2ccccc2N)CC1
InChIInChI=1S/C13H19N3O3S/c14-11-3-1-2-4-12(11)20(18,19)16-10-7-5-9(6-8-10)13(15)17/h1-4,9-10,16H,5-8,14H2,(H2,15,17)
InChIKeyNXAPUVDDULXJEL-UHFFFAOYSA-N
XLogP0.59
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.59
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

4-Amino 5-methylsulfamoyl benzamide
CID 20220703
2-amino-N-(cyclohexylmethyl)benzenesulfonamide
CID 21425911
Propanamide, 3-phenyl-N-(4-aminophenylsulfonato)-
CID 562100
2-amino-4-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide
CID 29051765
2-amino-5-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide
CID 54888411
4-[(2-Amino-4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 61126067
4-[(3-Amino-4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 61126452
4-[(5-Amino-2-fluorophenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 61126648
4-[(2-Amino-5-fluorophenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 61127447
1-(2-Amino-4-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide
CID 61138213
2-[1-(2-Amino-5-fluorophenyl)sulfonylpiperidin-4-yl]acetamide
CID 61138399
1-(2-Amino-5-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide
CID 61139549

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminophenyl)sulfonylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2-aminophenyl)sulfonylamino]cyclohexane-1-carboxamide (CID 61125880) is 4-[(2-aminophenyl)sulfonylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2-aminophenyl)sulfonylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2-aminophenyl)sulfonylamino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NS(=O)(=O)c2ccccc2N)CC1.
What is the InChIKey of 4-[(2-aminophenyl)sulfonylamino]cyclohexane-1-carboxamide?
The InChIKey is NXAPUVDDULXJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c14-11-3-1-2-4-12(11)20(18,19)16-10-7-5-9(6-8-10)13(15)17/h1-4,9-10,16H,5-8,14H2,(H2,15,17).
What are the key properties of 4-[(2-aminophenyl)sulfonylamino]cyclohexane-1-carboxamide?
4-[(2-aminophenyl)sulfonylamino]cyclohexane-1-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminophenyl)sulfonylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 61125880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).