4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide

C17H14N6O2S3 — CID 18708224

IUPAC4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide
SMILESCc1csc(Sc2nnnn2-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1
InChIInChI=1S/C17H14N6O2S3/c1-12-11-26-17(18-12)27-16-19-21-22-23(16)14-7-9-15(10-8-14)28(24,25)20-13-5-3-2-4-6-13/h2-11,20H,1H3
InChIKeyKDHKMNMICURNMJ-UHFFFAOYSA-N
MW430.54 g/mol
LogP3.38
Rot. Bonds6

About 4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide

4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide (PubChem CID 18708224) has the molecular formula C17H14N6O2S3 and a molecular weight of 430.54 g/mol. Its IUPAC name is 4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide
PubChem CID18708224
Molecular FormulaC17H14N6O2S3
Molecular Weight430.54 g/mol
Exact Mass430.03
IUPAC Name4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide
SMILESCc1csc(Sc2nnnn2-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1
InChIInChI=1S/C17H14N6O2S3/c1-12-11-26-17(18-12)27-16-19-21-22-23(16)14-7-9-15(10-8-14)28(24,25)20-13-5-3-2-4-6-13/h2-11,20H,1H3
InChIKeyKDHKMNMICURNMJ-UHFFFAOYSA-N
XLogP3.38
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide with MolForge

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Related Compounds

2-[2-[1-[4-(phenylsulfamoyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 18709271
4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18708988
4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzenesulfonamide
CID 18708014
4-methyl-2-[1-(5-methylthiophen-2-yl)tetrazol-5-yl]sulfanyl-1,3-thiazole
CID 18708140
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3-thiazole
CID 18778747
4-[5-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzoic acid
CID 18708609
2-[1-(5-bromothiophen-2-yl)tetrazol-5-yl]sulfanyl-4-methyl-1,3-thiazole
CID 18709172
1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole
CID 133464829
4-fluoro-N-[4-hydroxy-3-(1-phenyltetrazol-5-yl)sulfanylnaphthalen-1-yl]benzenesulfonamide
CID 4826347
2-(1-ethyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole
CID 18708132
4-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18708380

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide (CID 18708224) is 4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide is Cc1csc(Sc2nnnn2-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1.
What is the InChIKey of 4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide?
The InChIKey is KDHKMNMICURNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S3/c1-12-11-26-17(18-12)27-16-19-21-22-23(16)14-7-9-15(10-8-14)28(24,25)20-13-5-3-2-4-6-13/h2-11,20H,1H3.
What are the key properties of 4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide?
4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide has a molecular weight of 430.54 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 18708224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).