4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide

C16H17N5O2S — CID 22579947

IUPAC4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
SMILESCc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H17N5O2S/c1-12-3-7-14(8-4-12)21-16(18-19-20-21)11-17-24(22,23)15-9-5-13(2)6-10-15/h3-10,17H,11H2,1-2H3
InChIKeyIGWZNLLTCURWTL-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.76
Rot. Bonds5

About 4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide

4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide (PubChem CID 22579947) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
PubChem CID22579947
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
SMILESCc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H17N5O2S/c1-12-3-7-14(8-4-12)21-16(18-19-20-21)11-17-24(22,23)15-9-5-13(2)6-10-15/h3-10,17H,11H2,1-2H3
InChIKeyIGWZNLLTCURWTL-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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Related Compounds

N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579946
4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579954
4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579938
N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide
CID 18565844
N-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]methanamine
CID 62737570
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide
CID 41350032
3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide
CID 18565850
4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 16809041
4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide
CID 110870998
2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide
CID 18565616
4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 110440947
3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide
CID 110870999

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide (CID 22579947) is 4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide is Cc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is IGWZNLLTCURWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-12-3-7-14(8-4-12)21-16(18-19-20-21)11-17-24(22,23)15-9-5-13(2)6-10-15/h3-10,17H,11H2,1-2H3.
What are the key properties of 4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]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 4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 22579947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).