3-(2-methylthiophen-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide

C12H15N5O2S2 — CID 134823533

IUPAC3-(2-methylthiophen-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESCc1sccc1-c1cccc(S(N)(=O)=O)c1C1NNNN1
InChIInChI=1S/C12H15N5O2S2/c1-7-8(5-6-20-7)9-3-2-4-10(21(13,18)19)11(9)12-14-16-17-15-12/h2-6,12,14-17H,1H3,(H2,13,18,19)
InChIKeyIUAHSFNSXNVZED-UHFFFAOYSA-N
MW325.42 g/mol
LogP0.49
Rot. Bonds3

About 3-(2-methylthiophen-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide

3-(2-methylthiophen-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823533) has the molecular formula C12H15N5O2S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 3-(2-methylthiophen-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-methylthiophen-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823533
Molecular FormulaC12H15N5O2S2
Molecular Weight325.42 g/mol
Exact Mass325.07
IUPAC Name3-(2-methylthiophen-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESCc1sccc1-c1cccc(S(N)(=O)=O)c1C1NNNN1
InChIInChI=1S/C12H15N5O2S2/c1-7-8(5-6-20-7)9-3-2-4-10(21(13,18)19)11(9)12-14-16-17-15-12/h2-6,12,14-17H,1H3,(H2,13,18,19)
InChIKeyIUAHSFNSXNVZED-UHFFFAOYSA-N
XLogP0.49
TPSA108.28 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 50.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-amino-1,3-benzothiazol-4-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
CID 134823541
3-[4-(dimethylsulfamoyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide
CID 134823499
3-pyridazin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide
CID 134823489
3-(4-pyrazolidin-3-ylphenyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
CID 134823491
3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide
CID 134823493
3-(2-chlorophenyl)-2-methylthiophene
CID 18933115
3-(2-methylthiophen-3-yl)pyran-2-one
CID 167744871
2-methylbenzenesulfonamide
CID 6924
2-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide
CID 23217423
2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide
CID 142784698
2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 64993195
2-methylthiophene-3-sulfonyl fluoride
CID 157377683

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylthiophen-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-(2-methylthiophen-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823533) is 3-(2-methylthiophen-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(2-methylthiophen-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(2-methylthiophen-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide is Cc1sccc1-c1cccc(S(N)(=O)=O)c1C1NNNN1.
What is the InChIKey of 3-(2-methylthiophen-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is IUAHSFNSXNVZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S2/c1-7-8(5-6-20-7)9-3-2-4-10(21(13,18)19)11(9)12-14-16-17-15-12/h2-6,12,14-17H,1H3,(H2,13,18,19).
What are the key properties of 3-(2-methylthiophen-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
3-(2-methylthiophen-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 325.42 g/mol, XLogP of 0.49, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylthiophen-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).