N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide

C14H21N3O3S — CID 64562054

IUPACN-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)C2CCCCCN2)c1
InChIInChI=1S/C14H21N3O3S/c15-21(19,20)12-6-4-5-11(9-12)10-17-14(18)13-7-2-1-3-8-16-13/h4-6,9,13,16H,1-3,7-8,10H2,(H,17,18)(H2,15,19,20)
InChIKeyBTONPLYOFNBDFE-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.48
Rot. Bonds4

About N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide

N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide (PubChem CID 64562054) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide
PubChem CID64562054
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)C2CCCCCN2)c1
InChIInChI=1S/C14H21N3O3S/c15-21(19,20)12-6-4-5-11(9-12)10-17-14(18)13-7-2-1-3-8-16-13/h4-6,9,13,16H,1-3,7-8,10H2,(H,17,18)(H2,15,19,20)
InChIKeyBTONPLYOFNBDFE-UHFFFAOYSA-N
XLogP0.48
TPSA101.29 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 ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 22691434
N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263305
N-[(3-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 60857668
N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
(2S)-N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119719925
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692
N-[(3-sulfamoylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119293676
N-[[3-(trifluoromethyl)phenyl]methyl]azepane-2-carboxamide
CID 64562207
N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55150240
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119679731
N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide
CID 64766763

Frequently Asked Questions

What is the IUPAC name of N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide?
The IUPAC name of N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide (CID 64562054) is N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide.
What is the SMILES notation for N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide?
The canonical SMILES for N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide is NS(=O)(=O)c1cccc(CNC(=O)C2CCCCCN2)c1.
What is the InChIKey of N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide?
The InChIKey is BTONPLYOFNBDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c15-21(19,20)12-6-4-5-11(9-12)10-17-14(18)13-7-2-1-3-8-16-13/h4-6,9,13,16H,1-3,7-8,10H2,(H,17,18)(H2,15,19,20).
What are the key properties of N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide?
N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide is sourced from PubChem (CID 64562054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).