1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide

C19H19N5O3S — CID 30765886

IUPAC1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)C1(S(=O)(=O)c2ccccc2)CCCC1
InChIInChI=1S/C19H19N5O3S/c25-18(23-15-8-9-17(21-12-15)24-14-20-13-22-24)19(10-4-5-11-19)28(26,27)16-6-2-1-3-7-16/h1-3,6-9,12-14H,4-5,10-11H2,(H,23,25)
InChIKeyFMWXXIBJQSWCLW-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.39
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide

1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide (PubChem CID 30765886) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide
PubChem CID30765886
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)C1(S(=O)(=O)c2ccccc2)CCCC1
InChIInChI=1S/C19H19N5O3S/c25-18(23-15-8-9-17(21-12-15)24-14-20-13-22-24)19(10-4-5-11-19)28(26,27)16-6-2-1-3-7-16/h1-3,6-9,12-14H,4-5,10-11H2,(H,23,25)
InChIKeyFMWXXIBJQSWCLW-UHFFFAOYSA-N
XLogP2.39
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide (CID 30765886) is 1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide is O=C(Nc1ccc(-n2cncn2)nc1)C1(S(=O)(=O)c2ccccc2)CCCC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide?
The InChIKey is FMWXXIBJQSWCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c25-18(23-15-8-9-17(21-12-15)24-14-20-13-22-24)19(10-4-5-11-19)28(26,27)16-6-2-1-3-7-16/h1-3,6-9,12-14H,4-5,10-11H2,(H,23,25).
What are the key properties of 1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide?
1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 30765886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).