3-cyano-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]benzenesulfonamide

C17H14N6O2S — CID 134027999

IUPAC3-cyano-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)c1
InChIInChI=1S/C17H14N6O2S/c18-11-12-2-1-3-16(10-12)26(24,25)20-14-6-4-13(5-7-14)17-19-21-22-23(17)15-8-9-15/h1-7,10,15,20H,8-9H2
InChIKeyOBGREKDUKZHNHQ-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.35
Rot. Bonds5

About 3-cyano-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]benzenesulfonamide

3-cyano-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 134027999) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is 3-cyano-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]benzenesulfonamide
PubChem CID134027999
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC Name3-cyano-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)c1
InChIInChI=1S/C17H14N6O2S/c18-11-12-2-1-3-16(10-12)26(24,25)20-14-6-4-13(5-7-14)17-19-21-22-23(17)15-8-9-15/h1-7,10,15,20H,8-9H2
InChIKeyOBGREKDUKZHNHQ-UHFFFAOYSA-N
XLogP2.35
TPSA113.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]benzenesulfonamide (CID 134027999) is 3-cyano-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]benzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)c1.
What is the InChIKey of 3-cyano-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is OBGREKDUKZHNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c18-11-12-2-1-3-16(10-12)26(24,25)20-14-6-4-13(5-7-14)17-19-21-22-23(17)15-8-9-15/h1-7,10,15,20H,8-9H2.
What are the key properties of 3-cyano-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]benzenesulfonamide?
3-cyano-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 366.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 134027999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).