N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzenesulfonamide

C10H13N5O2S2 — CID 555562

IUPACN-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzenesulfonamide
SMILESCn1nnnc1SCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13N5O2S2/c1-15-10(12-13-14-15)18-8-7-11-19(16,17)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyWYAKQZOYFJEQOL-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.28
Rot. Bonds6

About N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzenesulfonamide

N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzenesulfonamide (PubChem CID 555562) has the molecular formula C10H13N5O2S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzenesulfonamide
PubChem CID555562
Molecular FormulaC10H13N5O2S2
Molecular Weight299.38 g/mol
Exact Mass299.05
IUPAC NameN-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzenesulfonamide
SMILESCn1nnnc1SCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13N5O2S2/c1-15-10(12-13-14-15)18-8-7-11-19(16,17)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyWYAKQZOYFJEQOL-UHFFFAOYSA-N
XLogP0.28
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-{2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}benzenesulfonamide
CID 660995
N1-[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]-2,4-difluorobenzene-1-sulfonamide
CID 2805442
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]benzenesulfonamide
CID 5204350
N-[2-(4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethyl]-benzenesulfonamide
CID 555113
4-fluoro-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}benzene-1-sulfonamide
CID 135347426
5-((5,5-difluoro-5-(phenylsulfonyl)pentyl)thio)-1-methyl-1H-tetrazole
CID 163297799
5-[2-(Benzenesulfonyl)ethylsulfanyl]-1-propan-2-yltetrazole
CID 37045221
3,4-difluoro-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 25046841
4-fluoro-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]benzenesulfonamide
CID 100175100
N-(2-methyl-1-((4-methyl-4H-1,2,4-triazol-3-yl)thio)propan-2-yl)benzenesulfonamide
CID 2146792
1-(Benzenesulfonyl)-5-methylsulfanyl-1,2,4-triazol-3-amine
CID 169426067
N-(1-ethyltetrazol-5-yl)benzenesulfonamide
CID 68166144

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzenesulfonamide?
The IUPAC name of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzenesulfonamide (CID 555562) is N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzenesulfonamide is Cn1nnnc1SCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzenesulfonamide?
The InChIKey is WYAKQZOYFJEQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S2/c1-15-10(12-13-14-15)18-8-7-11-19(16,17)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3.
What are the key properties of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzenesulfonamide?
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzenesulfonamide has a molecular weight of 299.38 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzenesulfonamide is sourced from PubChem (CID 555562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).