N-sulfanylidene-2H-benzotriazole-4-sulfonamide

C6H4N4O2S2 — CID 166594792

IUPACN-sulfanylidene-2H-benzotriazole-4-sulfonamide
SMILESO=S(=O)(N=S)c1cccc2n[nH]nc12
InChIInChI=1S/C6H4N4O2S2/c11-14(12,10-13)5-3-1-2-4-6(5)8-9-7-4/h1-3H,(H,7,8,9)
InChIKeyIZZWJLNSTOHUQW-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.38
Rot. Bonds2

About N-sulfanylidene-2H-benzotriazole-4-sulfonamide

N-sulfanylidene-2H-benzotriazole-4-sulfonamide (PubChem CID 166594792) has the molecular formula C6H4N4O2S2 and a molecular weight of 228.26 g/mol. Its IUPAC name is N-sulfanylidene-2H-benzotriazole-4-sulfonamide.

Molecular Properties

Compound NameN-sulfanylidene-2H-benzotriazole-4-sulfonamide
PubChem CID166594792
Molecular FormulaC6H4N4O2S2
Molecular Weight228.26 g/mol
Exact Mass227.98
IUPAC NameN-sulfanylidene-2H-benzotriazole-4-sulfonamide
SMILESO=S(=O)(N=S)c1cccc2n[nH]nc12
InChIInChI=1S/C6H4N4O2S2/c11-14(12,10-13)5-3-1-2-4-6(5)8-9-7-4/h1-3H,(H,7,8,9)
InChIKeyIZZWJLNSTOHUQW-UHFFFAOYSA-N
XLogP0.38
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 750248
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N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3585479
2,1,3-Benzothiadiazole, 4-chlorosulfonyl-
CID 2735459
1-Hydroxy-N,N-dimethyl-1H-benzotriazole-6-sulfonamide
CID 2440022
2,1,3-Benzothiadiazole-4-sulfonamide
CID 1382090
N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 692311
N-(4-fluorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 716427
4-(4-Methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole
CID 757158
N,N-Dimethyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 541928
N,N-Diethyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 551831
N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 660674

Frequently Asked Questions

What is the IUPAC name of N-sulfanylidene-2H-benzotriazole-4-sulfonamide?
The IUPAC name of N-sulfanylidene-2H-benzotriazole-4-sulfonamide (CID 166594792) is N-sulfanylidene-2H-benzotriazole-4-sulfonamide.
What is the SMILES notation for N-sulfanylidene-2H-benzotriazole-4-sulfonamide?
The canonical SMILES for N-sulfanylidene-2H-benzotriazole-4-sulfonamide is O=S(=O)(N=S)c1cccc2n[nH]nc12.
What is the InChIKey of N-sulfanylidene-2H-benzotriazole-4-sulfonamide?
The InChIKey is IZZWJLNSTOHUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2S2/c11-14(12,10-13)5-3-1-2-4-6(5)8-9-7-4/h1-3H,(H,7,8,9).
What are the key properties of N-sulfanylidene-2H-benzotriazole-4-sulfonamide?
N-sulfanylidene-2H-benzotriazole-4-sulfonamide has a molecular weight of 228.26 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-sulfanylidene-2H-benzotriazole-4-sulfonamide is sourced from PubChem (CID 166594792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).