N-[2-(4-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]naphthalene-1-sulfonamide

C20H15N5O2S — CID 119042854

IUPACN-[2-(4-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]naphthalene-1-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2cccc3ccccc23)n(-c2ccc(C#N)cc2)n1
InChIInChI=1S/C20H15N5O2S/c1-14-22-20(25(23-14)17-11-9-15(13-21)10-12-17)24-28(26,27)19-8-4-6-16-5-2-3-7-18(16)19/h2-12H,1H3,(H,22,23,24)
InChIKeyJNOYODZPXHCRET-UHFFFAOYSA-N
MW389.44 g/mol
LogP3.40
Rot. Bonds4

About N-[2-(4-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]naphthalene-1-sulfonamide

N-[2-(4-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]naphthalene-1-sulfonamide (PubChem CID 119042854) has the molecular formula C20H15N5O2S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[2-(4-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]naphthalene-1-sulfonamide
PubChem CID119042854
Molecular FormulaC20H15N5O2S
Molecular Weight389.44 g/mol
Exact Mass389.09
IUPAC NameN-[2-(4-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]naphthalene-1-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2cccc3ccccc23)n(-c2ccc(C#N)cc2)n1
InChIInChI=1S/C20H15N5O2S/c1-14-22-20(25(23-14)17-11-9-15(13-21)10-12-17)24-28(26,27)19-8-4-6-16-5-2-3-7-18(16)19/h2-12H,1H3,(H,22,23,24)
InChIKeyJNOYODZPXHCRET-UHFFFAOYSA-N
XLogP3.40
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]naphthalene-1-sulfonamide?
The IUPAC name of N-[2-(4-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]naphthalene-1-sulfonamide (CID 119042854) is N-[2-(4-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-(4-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[2-(4-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]naphthalene-1-sulfonamide is Cc1nc(NS(=O)(=O)c2cccc3ccccc23)n(-c2ccc(C#N)cc2)n1.
What is the InChIKey of N-[2-(4-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]naphthalene-1-sulfonamide?
The InChIKey is JNOYODZPXHCRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2S/c1-14-22-20(25(23-14)17-11-9-15(13-21)10-12-17)24-28(26,27)19-8-4-6-16-5-2-3-7-18(16)19/h2-12H,1H3,(H,22,23,24).
What are the key properties of N-[2-(4-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]naphthalene-1-sulfonamide?
N-[2-(4-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]naphthalene-1-sulfonamide has a molecular weight of 389.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 119042854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).