3-(1-methyltetrazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide

C14H15N5O2S2 — CID 71997703

IUPAC3-(1-methyltetrazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccsc1CNS(=O)(=O)c1cccc(-c2nnnn2C)c1
InChIInChI=1S/C14H15N5O2S2/c1-10-6-7-22-13(10)9-15-23(20,21)12-5-3-4-11(8-12)14-16-17-18-19(14)2/h3-8,15H,9H2,1-2H3
InChIKeySPPHDEFLSGMEIO-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.73
Rot. Bonds5

About 3-(1-methyltetrazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide

3-(1-methyltetrazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 71997703) has the molecular formula C14H15N5O2S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID71997703
Molecular FormulaC14H15N5O2S2
Molecular Weight349.44 g/mol
Exact Mass349.07
IUPAC Name3-(1-methyltetrazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccsc1CNS(=O)(=O)c1cccc(-c2nnnn2C)c1
InChIInChI=1S/C14H15N5O2S2/c1-10-6-7-22-13(10)9-15-23(20,21)12-5-3-4-11(8-12)14-16-17-18-19(14)2/h3-8,15H,9H2,1-2H3
InChIKeySPPHDEFLSGMEIO-UHFFFAOYSA-N
XLogP1.73
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 2811533
3-(1-methyltetrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 55248719
2-methyl-4-[(3-methylthiophen-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 106920293
4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
CID 25419462
3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide
CID 110870999
1-methyl-5-(3-methylphenyl)tetrazole
CID 23384026
N-cyclopropyl-4-methyl-3-[[3-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzamide
CID 139004329
4-(2-methoxyethoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
CID 30868046
N-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide
CID 25325851
N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 43687122
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide
CID 30414133
5-(3-bromophenyl)-1-methyltetrazole
CID 66904947

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-(1-methyltetrazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (CID 71997703) is 3-(1-methyltetrazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is Cc1ccsc1CNS(=O)(=O)c1cccc(-c2nnnn2C)c1.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is SPPHDEFLSGMEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S2/c1-10-6-7-22-13(10)9-15-23(20,21)12-5-3-4-11(8-12)14-16-17-18-19(14)2/h3-8,15H,9H2,1-2H3.
What are the key properties of 3-(1-methyltetrazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
3-(1-methyltetrazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 349.44 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71997703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).