4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide

C19H19N3O2S — CID 20914803

IUPAC4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCc2ccccc21)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H19N3O2S/c23-25(24,17-11-9-16(10-12-17)22-14-4-13-20-22)21-19-8-3-6-15-5-1-2-7-18(15)19/h1-2,4-5,7,9-14,19,21H,3,6,8H2
InChIKeyKHDOSGFABAEFKZ-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.23
Rot. Bonds4

About 4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide

4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide (PubChem CID 20914803) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
PubChem CID20914803
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCc2ccccc21)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H19N3O2S/c23-25(24,17-11-9-16(10-12-17)22-14-4-13-20-22)21-19-8-3-6-15-5-1-2-7-18(15)19/h1-2,4-5,7,9-14,19,21H,3,6,8H2
InChIKeyKHDOSGFABAEFKZ-UHFFFAOYSA-N
XLogP3.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of 4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide (CID 20914803) is 4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for 4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide is O=S(=O)(NC1CCCc2ccccc21)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The InChIKey is KHDOSGFABAEFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-25(24,17-11-9-16(10-12-17)22-14-4-13-20-22)21-19-8-3-6-15-5-1-2-7-18(15)19/h1-2,4-5,7,9-14,19,21H,3,6,8H2.
What are the key properties of 4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide?
4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide has a molecular weight of 353.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 20914803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).