2-cyano-1-(3-methylcyclopentyl)oxy-3-(sulfamoylamino)benzene

C13H17N3O3S — CID 67399845

IUPAC2-cyano-1-(3-methylcyclopentyl)oxy-3-(sulfamoylamino)benzene
SMILESCC1CCC(Oc2cccc(NS(N)(=O)=O)c2C#N)C1
InChIInChI=1S/C13H17N3O3S/c1-9-5-6-10(7-9)19-13-4-2-3-12(11(13)8-14)16-20(15,17)18/h2-4,9-10,16H,5-7H2,1H3,(H2,15,17,18)
InChIKeyDAPZVNAUIGRZGC-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.74
Rot. Bonds4

About 2-cyano-1-(3-methylcyclopentyl)oxy-3-(sulfamoylamino)benzene

2-cyano-1-(3-methylcyclopentyl)oxy-3-(sulfamoylamino)benzene (PubChem CID 67399845) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-cyano-1-(3-methylcyclopentyl)oxy-3-(sulfamoylamino)benzene.

Molecular Properties

Compound Name2-cyano-1-(3-methylcyclopentyl)oxy-3-(sulfamoylamino)benzene
PubChem CID67399845
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-cyano-1-(3-methylcyclopentyl)oxy-3-(sulfamoylamino)benzene
SMILESCC1CCC(Oc2cccc(NS(N)(=O)=O)c2C#N)C1
InChIInChI=1S/C13H17N3O3S/c1-9-5-6-10(7-9)19-13-4-2-3-12(11(13)8-14)16-20(15,17)18/h2-4,9-10,16H,5-7H2,1H3,(H2,15,17,18)
InChIKeyDAPZVNAUIGRZGC-UHFFFAOYSA-N
XLogP1.74
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-1-(3-methylcyclopentyl)oxy-3-(sulfamoylamino)benzene?
The IUPAC name of 2-cyano-1-(3-methylcyclopentyl)oxy-3-(sulfamoylamino)benzene (CID 67399845) is 2-cyano-1-(3-methylcyclopentyl)oxy-3-(sulfamoylamino)benzene.
What is the SMILES notation for 2-cyano-1-(3-methylcyclopentyl)oxy-3-(sulfamoylamino)benzene?
The canonical SMILES for 2-cyano-1-(3-methylcyclopentyl)oxy-3-(sulfamoylamino)benzene is CC1CCC(Oc2cccc(NS(N)(=O)=O)c2C#N)C1.
What is the InChIKey of 2-cyano-1-(3-methylcyclopentyl)oxy-3-(sulfamoylamino)benzene?
The InChIKey is DAPZVNAUIGRZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-5-6-10(7-9)19-13-4-2-3-12(11(13)8-14)16-20(15,17)18/h2-4,9-10,16H,5-7H2,1H3,(H2,15,17,18).
What are the key properties of 2-cyano-1-(3-methylcyclopentyl)oxy-3-(sulfamoylamino)benzene?
2-cyano-1-(3-methylcyclopentyl)oxy-3-(sulfamoylamino)benzene has a molecular weight of 295.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-(3-methylcyclopentyl)oxy-3-(sulfamoylamino)benzene is sourced from PubChem (CID 67399845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).