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

C11H10N6O2S3 — CID 18708014

IUPAC4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzenesulfonamide
SMILESCc1csc(Sc2nnnn2-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C11H10N6O2S3/c1-7-6-20-11(13-7)21-10-14-15-16-17(10)8-2-4-9(5-3-8)22(12,18)19/h2-6H,1H3,(H2,12,18,19)
InChIKeyDBZLGNWNSBEEEP-UHFFFAOYSA-N
MW354.44 g/mol
LogP1.23
Rot. Bonds4

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

4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzenesulfonamide (PubChem CID 18708014) has the molecular formula C11H10N6O2S3 and a molecular weight of 354.44 g/mol. Its IUPAC name is 4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzenesulfonamide
PubChem CID18708014
Molecular FormulaC11H10N6O2S3
Molecular Weight354.44 g/mol
Exact Mass354.00
IUPAC Name4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzenesulfonamide
SMILESCc1csc(Sc2nnnn2-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C11H10N6O2S3/c1-7-6-20-11(13-7)21-10-14-15-16-17(10)8-2-4-9(5-3-8)22(12,18)19/h2-6H,1H3,(H2,12,18,19)
InChIKeyDBZLGNWNSBEEEP-UHFFFAOYSA-N
XLogP1.23
TPSA116.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide
CID 18708224
4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18708988
4-[5-[(4-chloro-1,3-benzothiazol-2-yl)sulfanyl]tetrazol-1-yl]benzenesulfonamide
CID 18709399
4-methyl-2-[1-(5-methylthiophen-2-yl)tetrazol-5-yl]sulfanyl-1,3-thiazole
CID 18708140
2-[1-(5-bromothiophen-2-yl)tetrazol-5-yl]sulfanyl-4-methyl-1,3-thiazole
CID 18709172
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole
CID 133464829
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
2-[2-[1-[4-(phenylsulfamoyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 18709271
4-(5-phenyltetrazol-1-yl)benzenesulfonamide
CID 57395676
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-6-methylsulfonyl-1,3-benzothiazole
CID 18708548
4-methyl-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18709371

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzenesulfonamide (CID 18708014) is 4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzenesulfonamide is Cc1csc(Sc2nnnn2-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzenesulfonamide?
The InChIKey is DBZLGNWNSBEEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2S3/c1-7-6-20-11(13-7)21-10-14-15-16-17(10)8-2-4-9(5-3-8)22(12,18)19/h2-6H,1H3,(H2,12,18,19).
What are the key properties of 4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzenesulfonamide?
4-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzenesulfonamide has a molecular weight of 354.44 g/mol, XLogP of 1.23, 4 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]benzenesulfonamide is sourced from PubChem (CID 18708014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).