3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide

C11H15N5O2S — CID 110870999

IUPAC3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nnnn2C)cc1C
InChIInChI=1S/C11H15N5O2S/c1-8-4-5-10(6-9(8)2)19(17,18)12-7-11-13-14-15-16(11)3/h4-6,12H,7H2,1-3H3
InChIKeyGWAFPOAMLFCQGE-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.31
Rot. Bonds4

About 3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide

3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide (PubChem CID 110870999) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide
PubChem CID110870999
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nnnn2C)cc1C
InChIInChI=1S/C11H15N5O2S/c1-8-4-5-10(6-9(8)2)19(17,18)12-7-11-13-14-15-16(11)3/h4-6,12H,7H2,1-3H3
InChIKeyGWAFPOAMLFCQGE-UHFFFAOYSA-N
XLogP0.31
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide
CID 110870998
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579954
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide
CID 41350032
N-[(1-methyltetrazol-5-yl)methyl]ethanesulfonamide
CID 110870993
3,4-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
CID 110870212
3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110782569
3-amino-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 61127965
4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579947
3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110368347
N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680727

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide (CID 110870999) is 3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2nnnn2C)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is GWAFPOAMLFCQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-8-4-5-10(6-9(8)2)19(17,18)12-7-11-13-14-15-16(11)3/h4-6,12H,7H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide?
3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110870999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).