N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide

C15H22N2O3S — CID 10470657

IUPACN-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C2CCCCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c16-21(19,20)14-9-7-12(8-10-14)11-17-15(18)13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2,(H,17,18)(H2,16,19,20)
InChIKeyHYQJHNVFOCFHNI-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.92
Rot. Bonds4

About N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide

N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide (PubChem CID 10470657) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
PubChem CID10470657
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C2CCCCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c16-21(19,20)14-9-7-12(8-10-14)11-17-15(18)13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2,(H,17,18)(H2,16,19,20)
InChIKeyHYQJHNVFOCFHNI-UHFFFAOYSA-N
XLogP1.92
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide
CID 142837148
N-[3-(4-sulfamoylphenyl)propyl]cyclobutanecarboxamide
CID 60905854
2-amino-N-[(4-sulfamoylphenyl)methyl]cyclopentane-1-carboxamide
CID 64818110
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
CID 65022816
3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 2431253
(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 22691434
N-[(4-carbamothioylphenyl)methyl]cyclooctanecarboxamide
CID 65018764
1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 43874836
1-(4-bromophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 43874859
N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263305
3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
CID 62339447
1-(3,3-diphenylpropyl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 25225132

Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide (CID 10470657) is N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide is NS(=O)(=O)c1ccc(CNC(=O)C2CCCCCC2)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide?
The InChIKey is HYQJHNVFOCFHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c16-21(19,20)14-9-7-12(8-10-14)11-17-15(18)13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2,(H,17,18)(H2,16,19,20).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide?
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide is sourced from PubChem (CID 10470657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).