N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylmethanesulfonamide

C16H16N2O3S2 — CID 2205532

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylmethanesulfonamide
SMILESCCOc1ccc2nc(NS(=O)(=O)Cc3ccccc3)sc2c1
InChIInChI=1S/C16H16N2O3S2/c1-2-21-13-8-9-14-15(10-13)22-16(17-14)18-23(19,20)11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyICAYLWPSUVTAEL-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.64
Rot. Bonds6

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylmethanesulfonamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylmethanesulfonamide (PubChem CID 2205532) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylmethanesulfonamide
PubChem CID2205532
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylmethanesulfonamide
SMILESCCOc1ccc2nc(NS(=O)(=O)Cc3ccccc3)sc2c1
InChIInChI=1S/C16H16N2O3S2/c1-2-21-13-8-9-14-15(10-13)22-16(17-14)18-23(19,20)11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyICAYLWPSUVTAEL-UHFFFAOYSA-N
XLogP3.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethoxzolamide
CID 3295
2-Amino-6-methoxybenzothiazole
CID 15630
Tioxidazole
CID 72157
Frentizole
CID 33334
Amino-6-ethoxybenzothiazole, 2-
CID 7192
2-Propenamide, 2-cyano-N-(6-methoxy-2-benzothiazolyl)-3-phenyl-
CID 5469111
6-Phenoxybenzo[d]thiazol-2-amine
CID 2344996
6-(Benzyloxy)-1,3-benzothiazole-2-sulfonamide
CID 23275795
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
Benzothiazol-2-yl-(4-ethoxy-phenyl)-amine
CID 234497
N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 5018499
4-[(2-Azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile
CID 137628304

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylmethanesulfonamide (CID 2205532) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylmethanesulfonamide is CCOc1ccc2nc(NS(=O)(=O)Cc3ccccc3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylmethanesulfonamide?
The InChIKey is ICAYLWPSUVTAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-2-21-13-8-9-14-15(10-13)22-16(17-14)18-23(19,20)11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,17,18).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylmethanesulfonamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylmethanesulfonamide has a molecular weight of 348.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 2205532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).