1-(benzenesulfonyl)-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine

C19H20N4O2S — CID 91905034

IUPAC1-(benzenesulfonyl)-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine
SMILESO=S(=O)(c1ccccc1)N1CCC(n2cnnc2-c2ccccc2)CC1
InChIInChI=1S/C19H20N4O2S/c24-26(25,18-9-5-2-6-10-18)22-13-11-17(12-14-22)23-15-20-21-19(23)16-7-3-1-4-8-16/h1-10,15,17H,11-14H2
InChIKeyMOUDBLIPJIKXCZ-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.97
Rot. Bonds4

About 1-(benzenesulfonyl)-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine

1-(benzenesulfonyl)-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine (PubChem CID 91905034) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine
PubChem CID91905034
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1-(benzenesulfonyl)-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine
SMILESO=S(=O)(c1ccccc1)N1CCC(n2cnnc2-c2ccccc2)CC1
InChIInChI=1S/C19H20N4O2S/c24-26(25,18-9-5-2-6-10-18)22-13-11-17(12-14-22)23-15-20-21-19(23)16-7-3-1-4-8-16/h1-10,15,17H,11-14H2
InChIKeyMOUDBLIPJIKXCZ-UHFFFAOYSA-N
XLogP2.97
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine?
The IUPAC name of 1-(benzenesulfonyl)-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine (CID 91905034) is 1-(benzenesulfonyl)-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine is O=S(=O)(c1ccccc1)N1CCC(n2cnnc2-c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine?
The InChIKey is MOUDBLIPJIKXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-26(25,18-9-5-2-6-10-18)22-13-11-17(12-14-22)23-15-20-21-19(23)16-7-3-1-4-8-16/h1-10,15,17H,11-14H2.
What are the key properties of 1-(benzenesulfonyl)-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine?
1-(benzenesulfonyl)-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine has a molecular weight of 368.46 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine is sourced from PubChem (CID 91905034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).