4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide

C17H18N2O2S2 — CID 3582989

IUPAC4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C17H18N2O2S2/c1-3-19(4-2)23(20,21)14-11-9-13(10-12-14)17-18-15-7-5-6-8-16(15)22-17/h5-12H,3-4H2,1-2H3
InChIKeyFTFJHBOKQIMIBP-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.99
Rot. Bonds5

About 4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide

4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide (PubChem CID 3582989) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide
PubChem CID3582989
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC Name4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C17H18N2O2S2/c1-3-19(4-2)23(20,21)14-11-9-13(10-12-14)17-18-15-7-5-6-8-16(15)22-17/h5-12H,3-4H2,1-2H3
InChIKeyFTFJHBOKQIMIBP-UHFFFAOYSA-N
XLogP3.99
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzothiazol-2-yl)-N,N-bis(2-cyanoethyl)benzenesulfonamide
CID 2316500
2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932
N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 2677030
N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 46828199
1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 27277189
N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide
CID 41109487
4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline
CID 59707533
N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 34255200
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 34289405
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)benzamide;hydrochloride
CID 44922718
4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide
CID 101078161
6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethylpyridine-3-sulfonamide
CID 8568025

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide (CID 3582989) is 4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide?
The InChIKey is FTFJHBOKQIMIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c1-3-19(4-2)23(20,21)14-11-9-13(10-12-14)17-18-15-7-5-6-8-16(15)22-17/h5-12H,3-4H2,1-2H3.
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide?
4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide has a molecular weight of 346.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 3582989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).