5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide

C18H15N5O2S2 — CID 56942318

IUPAC5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide
SMILESCc1ccccc1-c1ccc(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)s1
InChIInChI=1S/C18H15N5O2S2/c1-12-5-2-3-8-15(12)16-9-10-17(26-16)27(24,25)21-14-7-4-6-13(11-14)18-19-22-23-20-18/h2-11,21H,1H3,(H,19,20,22,23)
InChIKeyLSJZRNQMBDCFPW-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.70
Rot. Bonds5

About 5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide

5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 56942318) has the molecular formula C18H15N5O2S2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide
PubChem CID56942318
Molecular FormulaC18H15N5O2S2
Molecular Weight397.49 g/mol
Exact Mass397.07
IUPAC Name5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide
SMILESCc1ccccc1-c1ccc(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)s1
InChIInChI=1S/C18H15N5O2S2/c1-12-5-2-3-8-15(12)16-9-10-17(26-16)27(24,25)21-14-7-4-6-13(11-14)18-19-22-23-20-18/h2-11,21H,1H3,(H,19,20,22,23)
InChIKeyLSJZRNQMBDCFPW-UHFFFAOYSA-N
XLogP3.70
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide
CID 56941162
5-[3-[[5-(2-chlorophenyl)thiophen-2-yl]sulfonylmethyl]phenyl]-2H-tetrazole
CID 161391140
4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 8823430
4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720303
2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 8823439
5-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 175177926
2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
CID 110720322
3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 110720294
3-chloro-5-[3-(2H-tetrazol-5-yl)anilino]thiophene-2-sulfonamide
CID 142710697
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 20947535
5-(2-methylphenyl)thiophene-2-sulfonyl chloride
CID 22998464

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide (CID 56942318) is 5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide is Cc1ccccc1-c1ccc(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)s1.
What is the InChIKey of 5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is LSJZRNQMBDCFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S2/c1-12-5-2-3-8-15(12)16-9-10-17(26-16)27(24,25)21-14-7-4-6-13(11-14)18-19-22-23-20-18/h2-11,21H,1H3,(H,19,20,22,23).
What are the key properties of 5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide?
5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 397.49 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 56942318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).