N-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide

C13H12N4O2S2 — CID 107801209

IUPACN-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)Nc2ccc3ncsc3c2)ccn1
InChIInChI=1S/C13H12N4O2S2/c1-14-13-7-10(4-5-15-13)21(18,19)17-9-2-3-11-12(6-9)20-8-16-11/h2-8,17H,1H3,(H,14,15)
InChIKeyGJYXZOJTDGHIIZ-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.53
Rot. Bonds4

About N-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide

N-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide (PubChem CID 107801209) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide
PubChem CID107801209
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC NameN-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)Nc2ccc3ncsc3c2)ccn1
InChIInChI=1S/C13H12N4O2S2/c1-14-13-7-10(4-5-15-13)21(18,19)17-9-2-3-11-12(6-9)20-8-16-11/h2-8,17H,1H3,(H,14,15)
InChIKeyGJYXZOJTDGHIIZ-UHFFFAOYSA-N
XLogP2.53
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylamino)-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 55044083
N-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide
CID 74225339
N-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62144171
N-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62811577
6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide
CID 107801222
N-(1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4990247
N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62148302
2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide
CID 62164043
2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide
CID 62143197
N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide
CID 59823085
N-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide
CID 114142525
N-(1,3-benzothiazol-6-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107806374

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide (CID 107801209) is N-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)Nc2ccc3ncsc3c2)ccn1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide?
The InChIKey is GJYXZOJTDGHIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c1-14-13-7-10(4-5-15-13)21(18,19)17-9-2-3-11-12(6-9)20-8-16-11/h2-8,17H,1H3,(H,14,15).
What are the key properties of N-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide?
N-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide has a molecular weight of 320.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 107801209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).