4-(methylaminomethyl)-N-(thiatriazol-5-yl)benzenesulfonamide

C9H11N5O2S2 — CID 114912960

IUPAC4-(methylaminomethyl)-N-(thiatriazol-5-yl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2nnns2)cc1
InChIInChI=1S/C9H11N5O2S2/c1-10-6-7-2-4-8(5-3-7)18(15,16)12-9-11-13-14-17-9/h2-5,10H,6H2,1H3,(H,11,12,14)
InChIKeyDSBVAVQLNGZYFI-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.45
Rot. Bonds5

About 4-(methylaminomethyl)-N-(thiatriazol-5-yl)benzenesulfonamide

4-(methylaminomethyl)-N-(thiatriazol-5-yl)benzenesulfonamide (PubChem CID 114912960) has the molecular formula C9H11N5O2S2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(thiatriazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(thiatriazol-5-yl)benzenesulfonamide
PubChem CID114912960
Molecular FormulaC9H11N5O2S2
Molecular Weight285.35 g/mol
Exact Mass285.04
IUPAC Name4-(methylaminomethyl)-N-(thiatriazol-5-yl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2nnns2)cc1
InChIInChI=1S/C9H11N5O2S2/c1-10-6-7-2-4-8(5-3-7)18(15,16)12-9-11-13-14-17-9/h2-5,10H,6H2,1H3,(H,11,12,14)
InChIKeyDSBVAVQLNGZYFI-UHFFFAOYSA-N
XLogP0.45
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydrazinyl-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114912916
4-(thiatriazol-5-ylsulfamoyl)benzoic acid
CID 114911956
4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 54922138
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 61477638
4-[1-(propylamino)ethyl]-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114912868
4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61480734
6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide
CID 114914131
4-(4-hydroxybut-1-ynyl)-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114913909
4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 54921777
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 61480656
N-ethyl-4-(methylaminomethyl)benzenesulfonamide
CID 60821797
N-(3,5-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 60822038

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(thiatriazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(thiatriazol-5-yl)benzenesulfonamide (CID 114912960) is 4-(methylaminomethyl)-N-(thiatriazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(thiatriazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(thiatriazol-5-yl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)Nc2nnns2)cc1.
What is the InChIKey of 4-(methylaminomethyl)-N-(thiatriazol-5-yl)benzenesulfonamide?
The InChIKey is DSBVAVQLNGZYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S2/c1-10-6-7-2-4-8(5-3-7)18(15,16)12-9-11-13-14-17-9/h2-5,10H,6H2,1H3,(H,11,12,14).
What are the key properties of 4-(methylaminomethyl)-N-(thiatriazol-5-yl)benzenesulfonamide?
4-(methylaminomethyl)-N-(thiatriazol-5-yl)benzenesulfonamide has a molecular weight of 285.35 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(thiatriazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 114912960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).