N,4-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide

C16H16N2O2S2 — CID 768655

IUPACN,4-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc3sc(C)nc3c2)cc1
InChIInChI=1S/C16H16N2O2S2/c1-11-4-7-14(8-5-11)22(19,20)18(3)13-6-9-16-15(10-13)17-12(2)21-16/h4-10H,1-3H3
InChIKeyHPZSZQVTMGNBSD-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.74
Rot. Bonds3

About N,4-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide

N,4-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide (PubChem CID 768655) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N,4-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
PubChem CID768655
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC NameN,4-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc3sc(C)nc3c2)cc1
InChIInChI=1S/C16H16N2O2S2/c1-11-4-7-14(8-5-11)22(19,20)18(3)13-6-9-16-15(10-13)17-12(2)21-16/h4-10H,1-3H3
InChIKeyHPZSZQVTMGNBSD-UHFFFAOYSA-N
XLogP3.74
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(p-Dimethylaminostyryl)benzothiazole
CID 5378081
4-(1,3-benzothiazol-2-yl)-N,N-dimethylaniline
CID 95755
Benzenamine, N,N-dimethyl-4-(6-methyl-2-benzothiazolyl)-
CID 82450
Benzothiazolium, 3-methyl-, 4-methylbenzenesulfonate (1:1)
CID 22489
Benzothiazolium, 3-methyl-2-(methylthio)-, 4-methylbenzenesulfonate (1:1)
CID 41464
benzothiazolium, 2,5-dimethyl-3-(3-sulfopropyl)-, inner salt
CID 103345
N-(1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide
CID 403571
2-[2-(Toluene-4-sulfonyl)-ethyl]-benzothiazole
CID 773538
5-Benzothiazolamine, 2-(4-aminophenyl)-
CID 754924
2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 984111
4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 1239093
4-(N-benzyl-N-methylsulfamoyl)-N-(2-methylbenzo[d]thiazol-5-yl)benzamide
CID 3514286

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide (CID 768655) is N,4-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc3sc(C)nc3c2)cc1.
What is the InChIKey of N,4-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
The InChIKey is HPZSZQVTMGNBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c1-11-4-7-14(8-5-11)22(19,20)18(3)13-6-9-16-15(10-13)17-12(2)21-16/h4-10H,1-3H3.
What are the key properties of N,4-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
N,4-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide has a molecular weight of 332.45 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 768655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).