2-methyl-5-(1-methyltetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide

C14H16N6O2S2 — CID 91484404

IUPAC2-methyl-5-(1-methyltetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide
SMILESCc1cc(NCc2cccs2)c(-c2nnnn2C)cc1S(N)(=O)=O
InChIInChI=1S/C14H16N6O2S2/c1-9-6-12(16-8-10-4-3-5-23-10)11(7-13(9)24(15,21)22)14-17-18-19-20(14)2/h3-7,16H,8H2,1-2H3,(H2,15,21,22)
InChIKeyJONYDBNPOSONDH-UHFFFAOYSA-N
MW364.46 g/mol
LogP1.51
Rot. Bonds5

About 2-methyl-5-(1-methyltetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide

2-methyl-5-(1-methyltetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide (PubChem CID 91484404) has the molecular formula C14H16N6O2S2 and a molecular weight of 364.46 g/mol. Its IUPAC name is 2-methyl-5-(1-methyltetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(1-methyltetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide
PubChem CID91484404
Molecular FormulaC14H16N6O2S2
Molecular Weight364.46 g/mol
Exact Mass364.08
IUPAC Name2-methyl-5-(1-methyltetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide
SMILESCc1cc(NCc2cccs2)c(-c2nnnn2C)cc1S(N)(=O)=O
InChIInChI=1S/C14H16N6O2S2/c1-9-6-12(16-8-10-4-3-5-23-10)11(7-13(9)24(15,21)22)14-17-18-19-20(14)2/h3-7,16H,8H2,1-2H3,(H2,15,21,22)
InChIKeyJONYDBNPOSONDH-UHFFFAOYSA-N
XLogP1.51
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methyltetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide?
The IUPAC name of 2-methyl-5-(1-methyltetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide (CID 91484404) is 2-methyl-5-(1-methyltetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(1-methyltetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(1-methyltetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide is Cc1cc(NCc2cccs2)c(-c2nnnn2C)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-(1-methyltetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide?
The InChIKey is JONYDBNPOSONDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2S2/c1-9-6-12(16-8-10-4-3-5-23-10)11(7-13(9)24(15,21)22)14-17-18-19-20(14)2/h3-7,16H,8H2,1-2H3,(H2,15,21,22).
What are the key properties of 2-methyl-5-(1-methyltetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide?
2-methyl-5-(1-methyltetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide has a molecular weight of 364.46 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methyltetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 91484404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).