6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethylpyridine-3-sulfonamide

C18H22N4O2S2 — CID 8568025

IUPAC6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)Cc2nc3ccccc3s2)nc1
InChIInChI=1S/C18H22N4O2S2/c1-4-22(5-2)26(23,24)14-10-11-17(19-12-14)21(3)13-18-20-15-8-6-7-9-16(15)25-18/h6-12H,4-5,13H2,1-3H3
InChIKeyADQNSOXCAPDYDL-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.36
Rot. Bonds7

About 6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethylpyridine-3-sulfonamide

6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethylpyridine-3-sulfonamide (PubChem CID 8568025) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethylpyridine-3-sulfonamide
PubChem CID8568025
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC Name6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)Cc2nc3ccccc3s2)nc1
InChIInChI=1S/C18H22N4O2S2/c1-4-22(5-2)26(23,24)14-10-11-17(19-12-14)21(3)13-18-20-15-8-6-7-9-16(15)25-18/h6-12H,4-5,13H2,1-3H3
InChIKeyADQNSOXCAPDYDL-UHFFFAOYSA-N
XLogP3.36
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide
CID 41440134
N-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine
CID 33373467
4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide
CID 3582989
1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 27277189
N-(1,3-benzothiazol-2-ylmethyl)-N,3,4-trimethylbenzenesulfonamide
CID 9189865
N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 9189850
6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]pyridin-1-ium-3-sulfonamide
CID 8568042
6-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N,N-diethylpyridine-3-sulfonamide
CID 8008460
2-[[5-(diethylsulfamoyl)-2-pyridinyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9195255
N-(1,3-benzothiazol-2-ylmethyl)-4-fluoro-N-methyl-3-nitrobenzenesulfonamide
CID 9189911
N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 2677030
N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 34255200

Frequently Asked Questions

What is the IUPAC name of 6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethylpyridine-3-sulfonamide (CID 8568025) is 6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N(C)Cc2nc3ccccc3s2)nc1.
What is the InChIKey of 6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is ADQNSOXCAPDYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c1-4-22(5-2)26(23,24)14-10-11-17(19-12-14)21(3)13-18-20-15-8-6-7-9-16(15)25-18/h6-12H,4-5,13H2,1-3H3.
What are the key properties of 6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethylpyridine-3-sulfonamide?
6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 390.53 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 8568025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).