2-cyano-1-cyclohexyl-3-(sulfamoylamino)benzene

C13H17N3O2S — CID 142767218

IUPAC2-cyano-1-cyclohexyl-3-(sulfamoylamino)benzene
SMILESN#Cc1c(NS(N)(=O)=O)cccc1C1CCCCC1
InChIInChI=1S/C13H17N3O2S/c14-9-12-11(10-5-2-1-3-6-10)7-4-8-13(12)16-19(15,17)18/h4,7-8,10,16H,1-3,5-6H2,(H2,15,17,18)
InChIKeyYFRXXJPFYOKOAA-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.22
Rot. Bonds3

About 2-cyano-1-cyclohexyl-3-(sulfamoylamino)benzene

2-cyano-1-cyclohexyl-3-(sulfamoylamino)benzene (PubChem CID 142767218) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-cyano-1-cyclohexyl-3-(sulfamoylamino)benzene.

Molecular Properties

Compound Name2-cyano-1-cyclohexyl-3-(sulfamoylamino)benzene
PubChem CID142767218
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name2-cyano-1-cyclohexyl-3-(sulfamoylamino)benzene
SMILESN#Cc1c(NS(N)(=O)=O)cccc1C1CCCCC1
InChIInChI=1S/C13H17N3O2S/c14-9-12-11(10-5-2-1-3-6-10)7-4-8-13(12)16-19(15,17)18/h4,7-8,10,16H,1-3,5-6H2,(H2,15,17,18)
InChIKeyYFRXXJPFYOKOAA-UHFFFAOYSA-N
XLogP2.22
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-cyclohexylbenzonitrile
CID 129240388
1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene
CID 151507260
4-[2-cyano-3-(sulfamoylamino)phenoxy]oxane
CID 66746174
2-cyclopentyl-6-methylbenzonitrile
CID 10559437
2-cyano-1-(3-methylcyclopentyl)oxy-3-(sulfamoylamino)benzene
CID 67399845
2-cyano-1-prop-1-en-2-yl-3-(sulfamoylamino)benzene
CID 67399580
2-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-N-ethylpiperidine-1-carboxamide
CID 86714295
3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-1-(3-methylbutanoyl)piperidine
CID 90038917
(3R)-3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-1-(3-methylbutanoyl)piperidine
CID 90071394
5-[2-cyano-3-(sulfamoylamino)phenoxy]pentylsulfamic acid
CID 150470910
2-cycloheptylbenzonitrile
CID 117288835
2-cyano-1-(sulfamoylamino)-3-(3-trimethylsilylprop-1-ynyl)benzene
CID 67401198

Frequently Asked Questions

What is the IUPAC name of 2-cyano-1-cyclohexyl-3-(sulfamoylamino)benzene?
The IUPAC name of 2-cyano-1-cyclohexyl-3-(sulfamoylamino)benzene (CID 142767218) is 2-cyano-1-cyclohexyl-3-(sulfamoylamino)benzene.
What is the SMILES notation for 2-cyano-1-cyclohexyl-3-(sulfamoylamino)benzene?
The canonical SMILES for 2-cyano-1-cyclohexyl-3-(sulfamoylamino)benzene is N#Cc1c(NS(N)(=O)=O)cccc1C1CCCCC1.
What is the InChIKey of 2-cyano-1-cyclohexyl-3-(sulfamoylamino)benzene?
The InChIKey is YFRXXJPFYOKOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c14-9-12-11(10-5-2-1-3-6-10)7-4-8-13(12)16-19(15,17)18/h4,7-8,10,16H,1-3,5-6H2,(H2,15,17,18).
What are the key properties of 2-cyano-1-cyclohexyl-3-(sulfamoylamino)benzene?
2-cyano-1-cyclohexyl-3-(sulfamoylamino)benzene has a molecular weight of 279.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-cyclohexyl-3-(sulfamoylamino)benzene is sourced from PubChem (CID 142767218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).