4-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C17H22N2O2S — CID 2059949

IUPAC4-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C17H22N2O2S/c1-2-3-4-15-5-7-17(8-6-15)22(20,21)19-14-11-16-9-12-18-13-10-16/h5-10,12-13,19H,2-4,11,14H2,1H3
InChIKeyUPPPLUABFZWGHX-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.95
Rot. Bonds8

About 4-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

4-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 2059949) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID2059949
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name4-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C17H22N2O2S/c1-2-3-4-15-5-7-17(8-6-15)22(20,21)19-14-11-16-9-12-18-13-10-16/h5-10,12-13,19H,2-4,11,14H2,1H3
InChIKeyUPPPLUABFZWGHX-UHFFFAOYSA-N
XLogP2.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 2059949) is 4-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is CCCCc1ccc(S(=O)(=O)NCCc2ccncc2)cc1.
What is the InChIKey of 4-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is UPPPLUABFZWGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-2-3-4-15-5-7-17(8-6-15)22(20,21)19-14-11-16-9-12-18-13-10-16/h5-10,12-13,19H,2-4,11,14H2,1H3.
What are the key properties of 4-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
4-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 2059949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).