N-(3-sulfamoylphenyl)cycloheptanecarboxamide

C14H20N2O3S — CID 62590757

IUPACN-(3-sulfamoylphenyl)cycloheptanecarboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)C2CCCCCC2)c1
InChIInChI=1S/C14H20N2O3S/c15-20(18,19)13-9-5-8-12(10-13)16-14(17)11-6-3-1-2-4-7-11/h5,8-11H,1-4,6-7H2,(H,16,17)(H2,15,18,19)
InChIKeyQBSXEQHMYKGKLU-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.24
Rot. Bonds3

About N-(3-sulfamoylphenyl)cycloheptanecarboxamide

N-(3-sulfamoylphenyl)cycloheptanecarboxamide (PubChem CID 62590757) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(3-sulfamoylphenyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(3-sulfamoylphenyl)cycloheptanecarboxamide
PubChem CID62590757
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(3-sulfamoylphenyl)cycloheptanecarboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)C2CCCCCC2)c1
InChIInChI=1S/C14H20N2O3S/c15-20(18,19)13-9-5-8-12(10-13)16-14(17)11-6-3-1-2-4-7-11/h5,8-11H,1-4,6-7H2,(H,16,17)(H2,15,18,19)
InChIKeyQBSXEQHMYKGKLU-UHFFFAOYSA-N
XLogP2.24
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide
CID 60729878
N-[4-[(3-sulfamoylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 30287313
3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
CID 4588833
2-methyl-N-(3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 47101138
trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93365685
N-[3-(2-aminoethylsulfamoyl)phenyl]cyclobutanecarboxamide;hydrochloride
CID 119465742
2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide
CID 61131241
1-(naphthalene-1-carbonyl)-N-(3-sulfamoylphenyl)piperidine-4-carboxamide
CID 27396106
N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide
CID 16796065
N-[3-(1-aminoethyl)phenyl]cyclopentanecarboxamide
CID 16787772
4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672164
3-methyl-N-(3-sulfamoylphenyl)oxolane-2-carboxamide
CID 81424664

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylphenyl)cycloheptanecarboxamide?
The IUPAC name of N-(3-sulfamoylphenyl)cycloheptanecarboxamide (CID 62590757) is N-(3-sulfamoylphenyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(3-sulfamoylphenyl)cycloheptanecarboxamide?
The canonical SMILES for N-(3-sulfamoylphenyl)cycloheptanecarboxamide is NS(=O)(=O)c1cccc(NC(=O)C2CCCCCC2)c1.
What is the InChIKey of N-(3-sulfamoylphenyl)cycloheptanecarboxamide?
The InChIKey is QBSXEQHMYKGKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c15-20(18,19)13-9-5-8-12(10-13)16-14(17)11-6-3-1-2-4-7-11/h5,8-11H,1-4,6-7H2,(H,16,17)(H2,15,18,19).
What are the key properties of N-(3-sulfamoylphenyl)cycloheptanecarboxamide?
N-(3-sulfamoylphenyl)cycloheptanecarboxamide has a molecular weight of 296.39 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylphenyl)cycloheptanecarboxamide is sourced from PubChem (CID 62590757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).