N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propylbenzenesulfonamide

C17H19N5O2S — CID 51304447

IUPACN-[3-(1-methyltetrazol-5-yl)phenyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1
InChIInChI=1S/C17H19N5O2S/c1-3-5-13-8-10-16(11-9-13)25(23,24)19-15-7-4-6-14(12-15)17-18-20-21-22(17)2/h4,6-12,19H,3,5H2,1-2H3
InChIKeyYMGGFONFWNCOIX-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.63
Rot. Bonds6

About N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propylbenzenesulfonamide

N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propylbenzenesulfonamide (PubChem CID 51304447) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1-methyltetrazol-5-yl)phenyl]-4-propylbenzenesulfonamide
PubChem CID51304447
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-[3-(1-methyltetrazol-5-yl)phenyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1
InChIInChI=1S/C17H19N5O2S/c1-3-5-13-8-10-16(11-9-13)25(23,24)19-15-7-4-6-14(12-15)17-18-20-21-22(17)2/h4,6-12,19H,3,5H2,1-2H3
InChIKeyYMGGFONFWNCOIX-UHFFFAOYSA-N
XLogP2.63
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propylbenzenesulfonamide (CID 51304447) is N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1.
What is the InChIKey of N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propylbenzenesulfonamide?
The InChIKey is YMGGFONFWNCOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-3-5-13-8-10-16(11-9-13)25(23,24)19-15-7-4-6-14(12-15)17-18-20-21-22(17)2/h4,6-12,19H,3,5H2,1-2H3.
What are the key properties of N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propylbenzenesulfonamide?
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propylbenzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 51304447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).