4-ethyl-N-piperidin-4-yl-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide

C18H27N5O2S — CID 70653674

IUPAC4-ethyl-N-piperidin-4-yl-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CCCn2cnnc2)C2CCNCC2)cc1
InChIInChI=1S/C18H27N5O2S/c1-2-16-4-6-18(7-5-16)26(24,25)23(17-8-10-19-11-9-17)13-3-12-22-14-20-21-15-22/h4-7,14-15,17,19H,2-3,8-13H2,1H3
InChIKeyGIRQQMUTRDMESQ-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.67
Rot. Bonds8

About 4-ethyl-N-piperidin-4-yl-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide

4-ethyl-N-piperidin-4-yl-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide (PubChem CID 70653674) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 4-ethyl-N-piperidin-4-yl-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-piperidin-4-yl-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide
PubChem CID70653674
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC Name4-ethyl-N-piperidin-4-yl-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CCCn2cnnc2)C2CCNCC2)cc1
InChIInChI=1S/C18H27N5O2S/c1-2-16-4-6-18(7-5-16)26(24,25)23(17-8-10-19-11-9-17)13-3-12-22-14-20-21-15-22/h4-7,14-15,17,19H,2-3,8-13H2,1H3
InChIKeyGIRQQMUTRDMESQ-UHFFFAOYSA-N
XLogP1.67
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-piperidin-4-yl-4-(2-sulfanylpropan-2-yl)-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide
CID 134446962
N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205527
N-cyclopentyl-4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50776137
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574
N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120712623
4-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-N-piperidin-4-ylbenzenesulfonamide
CID 70645932
4-methyl-N-piperidin-4-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 118527402
N-ethyl-1-methyl-N-piperidin-4-ylpyrrole-3-sulfonamide
CID 60806594
N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide
CID 119993786
4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993611
N-piperidin-4-yl-N-propyl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120712631
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 60751133

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-piperidin-4-yl-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-piperidin-4-yl-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide (CID 70653674) is 4-ethyl-N-piperidin-4-yl-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-piperidin-4-yl-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-piperidin-4-yl-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)N(CCCn2cnnc2)C2CCNCC2)cc1.
What is the InChIKey of 4-ethyl-N-piperidin-4-yl-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide?
The InChIKey is GIRQQMUTRDMESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-2-16-4-6-18(7-5-16)26(24,25)23(17-8-10-19-11-9-17)13-3-12-22-14-20-21-15-22/h4-7,14-15,17,19H,2-3,8-13H2,1H3.
What are the key properties of 4-ethyl-N-piperidin-4-yl-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide?
4-ethyl-N-piperidin-4-yl-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-piperidin-4-yl-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 70653674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).