3-methyl-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C13H13N5O2S2 — CID 1442070

IUPAC3-methyl-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2cccs2)ccc1-n1cnnn1
InChIInChI=1S/C13H13N5O2S2/c1-10-7-12(4-5-13(10)18-9-14-16-17-18)22(19,20)15-8-11-3-2-6-21-11/h2-7,9,15H,8H2,1H3
InChIKeyUBSFCWWBKAFDSR-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.51
Rot. Bonds5

About 3-methyl-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

3-methyl-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 1442070) has the molecular formula C13H13N5O2S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-methyl-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID1442070
Molecular FormulaC13H13N5O2S2
Molecular Weight335.41 g/mol
Exact Mass335.05
IUPAC Name3-methyl-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2cccs2)ccc1-n1cnnn1
InChIInChI=1S/C13H13N5O2S2/c1-10-7-12(4-5-13(10)18-9-14-16-17-18)22(19,20)15-8-11-3-2-6-21-11/h2-7,9,15H,8H2,1H3
InChIKeyUBSFCWWBKAFDSR-UHFFFAOYSA-N
XLogP1.51
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-methyl-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 1442070) is 3-methyl-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-methyl-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCc2cccs2)ccc1-n1cnnn1.
What is the InChIKey of 3-methyl-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is UBSFCWWBKAFDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S2/c1-10-7-12(4-5-13(10)18-9-14-16-17-18)22(19,20)15-8-11-3-2-6-21-11/h2-7,9,15H,8H2,1H3.
What are the key properties of 3-methyl-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-methyl-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 335.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 1442070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).