3-(4-butyltriazol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide

C19H22N4O3S — CID 122455262

IUPAC3-(4-butyltriazol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCCCCc1cn(-c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)nn1
InChIInChI=1S/C19H22N4O3S/c1-3-4-6-16-14-23(22-20-16)17-7-5-8-19(13-17)27(24,25)21-15-9-11-18(26-2)12-10-15/h5,7-14,21H,3-4,6H2,1-2H3
InChIKeyBYEGGBUZWJDKDV-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.42
Rot. Bonds8

About 3-(4-butyltriazol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide

3-(4-butyltriazol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 122455262) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 3-(4-butyltriazol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-butyltriazol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID122455262
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name3-(4-butyltriazol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCCCCc1cn(-c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)nn1
InChIInChI=1S/C19H22N4O3S/c1-3-4-6-16-14-23(22-20-16)17-7-5-8-19(13-17)27(24,25)21-15-9-11-18(26-2)12-10-15/h5,7-14,21H,3-4,6H2,1-2H3
InChIKeyBYEGGBUZWJDKDV-UHFFFAOYSA-N
XLogP3.42
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-butyltriazol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-(4-butyltriazol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide (CID 122455262) is 3-(4-butyltriazol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(4-butyltriazol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-(4-butyltriazol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide is CCCCc1cn(-c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)nn1.
What is the InChIKey of 3-(4-butyltriazol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is BYEGGBUZWJDKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-3-4-6-16-14-23(22-20-16)17-7-5-8-19(13-17)27(24,25)21-15-9-11-18(26-2)12-10-15/h5,7-14,21H,3-4,6H2,1-2H3.
What are the key properties of 3-(4-butyltriazol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide?
3-(4-butyltriazol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butyltriazol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 122455262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).