N-(1-cyanocyclopentyl)-N,3-dimethylbenzenesulfonamide

C14H18N2O2S — CID 94700792

IUPACN-(1-cyanocyclopentyl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)C2(C#N)CCCC2)c1
InChIInChI=1S/C14H18N2O2S/c1-12-6-5-7-13(10-12)19(17,18)16(2)14(11-15)8-3-4-9-14/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyRPSSIUNFPZWPNO-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.45
Rot. Bonds3

About N-(1-cyanocyclopentyl)-N,3-dimethylbenzenesulfonamide

N-(1-cyanocyclopentyl)-N,3-dimethylbenzenesulfonamide (PubChem CID 94700792) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-N,3-dimethylbenzenesulfonamide
PubChem CID94700792
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(1-cyanocyclopentyl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)C2(C#N)CCCC2)c1
InChIInChI=1S/C14H18N2O2S/c1-12-6-5-7-13(10-12)19(17,18)16(2)14(11-15)8-3-4-9-14/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyRPSSIUNFPZWPNO-UHFFFAOYSA-N
XLogP2.45
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-N,3-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-cyanocyclopentyl)-N,3-dimethylbenzenesulfonamide (CID 94700792) is N-(1-cyanocyclopentyl)-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-N,3-dimethylbenzenesulfonamide is Cc1cccc(S(=O)(=O)N(C)C2(C#N)CCCC2)c1.
What is the InChIKey of N-(1-cyanocyclopentyl)-N,3-dimethylbenzenesulfonamide?
The InChIKey is RPSSIUNFPZWPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-12-6-5-7-13(10-12)19(17,18)16(2)14(11-15)8-3-4-9-14/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of N-(1-cyanocyclopentyl)-N,3-dimethylbenzenesulfonamide?
N-(1-cyanocyclopentyl)-N,3-dimethylbenzenesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 94700792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).