N-(4-sulfamoylphenyl)azocane-1-carboxamide

C14H21N3O3S — CID 17414007

IUPACN-(4-sulfamoylphenyl)azocane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCCCCCC2)cc1
InChIInChI=1S/C14H21N3O3S/c15-21(19,20)13-8-6-12(7-9-13)16-14(18)17-10-4-2-1-3-5-11-17/h6-9H,1-5,10-11H2,(H,16,18)(H2,15,19,20)
InChIKeyPKFMOKIFQJKHIB-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.13
Rot. Bonds2

About N-(4-sulfamoylphenyl)azocane-1-carboxamide

N-(4-sulfamoylphenyl)azocane-1-carboxamide (PubChem CID 17414007) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)azocane-1-carboxamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)azocane-1-carboxamide
PubChem CID17414007
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-(4-sulfamoylphenyl)azocane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCCCCCC2)cc1
InChIInChI=1S/C14H21N3O3S/c15-21(19,20)13-8-6-12(7-9-13)16-14(18)17-10-4-2-1-3-5-11-17/h6-9H,1-5,10-11H2,(H,16,18)(H2,15,19,20)
InChIKeyPKFMOKIFQJKHIB-UHFFFAOYSA-N
XLogP2.13
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-sulfamoylphenyl)piperidine-1-carbothioamide
CID 19653686
N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide
CID 6460433
(4aS,8aS)-N-(4-sulfamoylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 40874748
(3S,5S)-3,5-dimethyl-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
CID 40794398
N-[4-(sulfamoylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161755
4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carboxamide
CID 24650997
2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 732235
N-(2-methyl-4-sulfamoylphenyl)piperidine-1-carboxamide
CID 79155124
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808
N-[4-(propylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 2987866
N-[4-(prop-2-enylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 2990833
(1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
CID 1125529

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)azocane-1-carboxamide?
The IUPAC name of N-(4-sulfamoylphenyl)azocane-1-carboxamide (CID 17414007) is N-(4-sulfamoylphenyl)azocane-1-carboxamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)azocane-1-carboxamide?
The canonical SMILES for N-(4-sulfamoylphenyl)azocane-1-carboxamide is NS(=O)(=O)c1ccc(NC(=O)N2CCCCCCC2)cc1.
What is the InChIKey of N-(4-sulfamoylphenyl)azocane-1-carboxamide?
The InChIKey is PKFMOKIFQJKHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c15-21(19,20)13-8-6-12(7-9-13)16-14(18)17-10-4-2-1-3-5-11-17/h6-9H,1-5,10-11H2,(H,16,18)(H2,15,19,20).
What are the key properties of N-(4-sulfamoylphenyl)azocane-1-carboxamide?
N-(4-sulfamoylphenyl)azocane-1-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)azocane-1-carboxamide is sourced from PubChem (CID 17414007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).