N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide

C13H19N3O3S — CID 60729878

IUPACN-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide
SMILESNS(=O)(=O)Nc1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C13H19N3O3S/c14-20(18,19)16-12-8-4-7-11(9-12)15-13(17)10-5-2-1-3-6-10/h4,7-10,16H,1-3,5-6H2,(H,15,17)(H2,14,18,19)
InChIKeyGKSUKEMSSNPWFZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.82
Rot. Bonds4

About N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide

N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide (PubChem CID 60729878) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide
PubChem CID60729878
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide
SMILESNS(=O)(=O)Nc1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C13H19N3O3S/c14-20(18,19)16-12-8-4-7-11(9-12)15-13(17)10-5-2-1-3-6-10/h4,7-10,16H,1-3,5-6H2,(H,15,17)(H2,14,18,19)
InChIKeyGKSUKEMSSNPWFZ-UHFFFAOYSA-N
XLogP1.82
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-sulfamoylphenyl)cycloheptanecarboxamide
CID 62590757
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
3-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551532
N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide
CID 28620674
1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120551523
N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide
CID 16796065
N-[3-(1-aminoethyl)phenyl]cyclopentanecarboxamide
CID 16787772
1-(cyclopentylamino)-3-(sulfamoylamino)benzene
CID 43741971
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541069
N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803
N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide
CID 108933365
3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride
CID 119814644

Frequently Asked Questions

What is the IUPAC name of N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide (CID 60729878) is N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide is NS(=O)(=O)Nc1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide?
The InChIKey is GKSUKEMSSNPWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c14-20(18,19)16-12-8-4-7-11(9-12)15-13(17)10-5-2-1-3-6-10/h4,7-10,16H,1-3,5-6H2,(H,15,17)(H2,14,18,19).
What are the key properties of N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide?
N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide has a molecular weight of 297.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 60729878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).