6-cyclopropyl-3-quinolin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide

C19H20N6O2S — CID 134823588

IUPAC6-cyclopropyl-3-quinolin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C2CC2)ccc(-c2ccnc3ccccc23)c1C1NNNN1
InChIInChI=1S/C19H20N6O2S/c20-28(26,27)18-12(11-5-6-11)7-8-15(17(18)19-22-24-25-23-19)13-9-10-21-16-4-2-1-3-14(13)16/h1-4,7-11,19,22-25H,5-6H2,(H2,20,26,27)
InChIKeyNEIYCQWKYMMTNS-UHFFFAOYSA-N
MW396.48 g/mol
LogP1.54
Rot. Bonds4

About 6-cyclopropyl-3-quinolin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide

6-cyclopropyl-3-quinolin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823588) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 6-cyclopropyl-3-quinolin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-cyclopropyl-3-quinolin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823588
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name6-cyclopropyl-3-quinolin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C2CC2)ccc(-c2ccnc3ccccc23)c1C1NNNN1
InChIInChI=1S/C19H20N6O2S/c20-28(26,27)18-12(11-5-6-11)7-8-15(17(18)19-22-24-25-23-19)13-9-10-21-16-4-2-1-3-14(13)16/h1-4,7-11,19,22-25H,5-6H2,(H2,20,26,27)
InChIKeyNEIYCQWKYMMTNS-UHFFFAOYSA-N
XLogP1.54
TPSA121.17 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 51.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-quinolin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 6-cyclopropyl-3-quinolin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823588) is 6-cyclopropyl-3-quinolin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 6-cyclopropyl-3-quinolin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 6-cyclopropyl-3-quinolin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide is NS(=O)(=O)c1c(C2CC2)ccc(-c2ccnc3ccccc23)c1C1NNNN1.
What is the InChIKey of 6-cyclopropyl-3-quinolin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is NEIYCQWKYMMTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c20-28(26,27)18-12(11-5-6-11)7-8-15(17(18)19-22-24-25-23-19)13-9-10-21-16-4-2-1-3-14(13)16/h1-4,7-11,19,22-25H,5-6H2,(H2,20,26,27).
What are the key properties of 6-cyclopropyl-3-quinolin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide?
6-cyclopropyl-3-quinolin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 396.48 g/mol, XLogP of 1.54, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-quinolin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).