4-cyano-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C17H18N2O3S2 — CID 17408544

IUPAC4-cyano-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)cc1
InChIInChI=1S/C17H18N2O3S2/c18-11-14-5-7-17(8-6-14)24(20,21)19(12-15-3-1-9-22-15)13-16-4-2-10-23-16/h2,4-8,10,15H,1,3,9,12-13H2
InChIKeyFHZVILQROHXINT-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.99
Rot. Bonds6

About 4-cyano-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-cyano-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 17408544) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-cyano-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID17408544
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name4-cyano-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)cc1
InChIInChI=1S/C17H18N2O3S2/c18-11-14-5-7-17(8-6-14)24(20,21)19(12-15-3-1-9-22-15)13-16-4-2-10-23-16/h2,4-8,10,15H,1,3,9,12-13H2
InChIKeyFHZVILQROHXINT-UHFFFAOYSA-N
XLogP2.99
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 17408544) is 4-cyano-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)cc1.
What is the InChIKey of 4-cyano-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is FHZVILQROHXINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c18-11-14-5-7-17(8-6-14)24(20,21)19(12-15-3-1-9-22-15)13-16-4-2-10-23-16/h2,4-8,10,15H,1,3,9,12-13H2.
What are the key properties of 4-cyano-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-cyano-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 362.48 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 17408544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).