2-amino-3,6-dimethyl-N-(2-methyltetrazol-5-yl)benzenesulfonamide

C10H14N6O2S — CID 103171677

IUPAC2-amino-3,6-dimethyl-N-(2-methyltetrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2nnn(C)n2)c1N
InChIInChI=1S/C10H14N6O2S/c1-6-4-5-7(2)9(8(6)11)19(17,18)14-10-12-15-16(3)13-10/h4-5H,11H2,1-3H3,(H,13,14)
InChIKeyNFMUPKMMHHDAGD-UHFFFAOYSA-N
MW282.33 g/mol
LogP0.21
Rot. Bonds3

About 2-amino-3,6-dimethyl-N-(2-methyltetrazol-5-yl)benzenesulfonamide

2-amino-3,6-dimethyl-N-(2-methyltetrazol-5-yl)benzenesulfonamide (PubChem CID 103171677) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-N-(2-methyltetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-N-(2-methyltetrazol-5-yl)benzenesulfonamide
PubChem CID103171677
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name2-amino-3,6-dimethyl-N-(2-methyltetrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2nnn(C)n2)c1N
InChIInChI=1S/C10H14N6O2S/c1-6-4-5-7(2)9(8(6)11)19(17,18)14-10-12-15-16(3)13-10/h4-5H,11H2,1-3H3,(H,13,14)
InChIKeyNFMUPKMMHHDAGD-UHFFFAOYSA-N
XLogP0.21
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethyl-N-(2-methyltetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-amino-3,6-dimethyl-N-(2-methyltetrazol-5-yl)benzenesulfonamide (CID 103171677) is 2-amino-3,6-dimethyl-N-(2-methyltetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-3,6-dimethyl-N-(2-methyltetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-3,6-dimethyl-N-(2-methyltetrazol-5-yl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2nnn(C)n2)c1N.
What is the InChIKey of 2-amino-3,6-dimethyl-N-(2-methyltetrazol-5-yl)benzenesulfonamide?
The InChIKey is NFMUPKMMHHDAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c1-6-4-5-7(2)9(8(6)11)19(17,18)14-10-12-15-16(3)13-10/h4-5H,11H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-3,6-dimethyl-N-(2-methyltetrazol-5-yl)benzenesulfonamide?
2-amino-3,6-dimethyl-N-(2-methyltetrazol-5-yl)benzenesulfonamide has a molecular weight of 282.33 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dimethyl-N-(2-methyltetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 103171677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).