3-methyl-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide

C16H17N5O2S — CID 858103

IUPAC3-methyl-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1
InChIInChI=1S/C16H17N5O2S/c1-12-3-5-14(6-4-12)10-18-24(22,23)15-7-8-16(13(2)9-15)21-11-17-19-20-21/h3-9,11,18H,10H2,1-2H3
InChIKeyBHQJLJRQJXVCLZ-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.76
Rot. Bonds5

About 3-methyl-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide

3-methyl-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 858103) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-methyl-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID858103
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name3-methyl-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1
InChIInChI=1S/C16H17N5O2S/c1-12-3-5-14(6-4-12)10-18-24(22,23)15-7-8-16(13(2)9-15)21-11-17-19-20-21/h3-9,11,18H,10H2,1-2H3
InChIKeyBHQJLJRQJXVCLZ-UHFFFAOYSA-N
XLogP1.76
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide (CID 858103) is 3-methyl-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1.
What is the InChIKey of 3-methyl-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is BHQJLJRQJXVCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-12-3-5-14(6-4-12)10-18-24(22,23)15-7-8-16(13(2)9-15)21-11-17-19-20-21/h3-9,11,18H,10H2,1-2H3.
What are the key properties of 3-methyl-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
3-methyl-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 858103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).