N-[7-(1,3-benzothiazol-2-ylmethoxy)naphthalen-2-yl]ethanesulfonamide

C20H18N2O3S2 — CID 14548148

IUPACN-[7-(1,3-benzothiazol-2-ylmethoxy)naphthalen-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2ccc(OCc3nc4ccccc4s3)cc2c1
InChIInChI=1S/C20H18N2O3S2/c1-2-27(23,24)22-16-9-7-14-8-10-17(12-15(14)11-16)25-13-20-21-18-5-3-4-6-19(18)26-20/h3-12,22H,2,13H2,1H3
InChIKeyKSLWTGGJNHNPGA-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.79
Rot. Bonds6

About N-[7-(1,3-benzothiazol-2-ylmethoxy)naphthalen-2-yl]ethanesulfonamide

N-[7-(1,3-benzothiazol-2-ylmethoxy)naphthalen-2-yl]ethanesulfonamide (PubChem CID 14548148) has the molecular formula C20H18N2O3S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[7-(1,3-benzothiazol-2-ylmethoxy)naphthalen-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[7-(1,3-benzothiazol-2-ylmethoxy)naphthalen-2-yl]ethanesulfonamide
PubChem CID14548148
Molecular FormulaC20H18N2O3S2
Molecular Weight398.51 g/mol
Exact Mass398.08
IUPAC NameN-[7-(1,3-benzothiazol-2-ylmethoxy)naphthalen-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2ccc(OCc3nc4ccccc4s3)cc2c1
InChIInChI=1S/C20H18N2O3S2/c1-2-27(23,24)22-16-9-7-14-8-10-17(12-15(14)11-16)25-13-20-21-18-5-3-4-6-19(18)26-20/h3-12,22H,2,13H2,1H3
InChIKeyKSLWTGGJNHNPGA-UHFFFAOYSA-N
XLogP4.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1,3-benzothiazol-2-ylmethoxy)naphthalen-2-yl]ethanesulfonamide?
The IUPAC name of N-[7-(1,3-benzothiazol-2-ylmethoxy)naphthalen-2-yl]ethanesulfonamide (CID 14548148) is N-[7-(1,3-benzothiazol-2-ylmethoxy)naphthalen-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[7-(1,3-benzothiazol-2-ylmethoxy)naphthalen-2-yl]ethanesulfonamide?
The canonical SMILES for N-[7-(1,3-benzothiazol-2-ylmethoxy)naphthalen-2-yl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc2ccc(OCc3nc4ccccc4s3)cc2c1.
What is the InChIKey of N-[7-(1,3-benzothiazol-2-ylmethoxy)naphthalen-2-yl]ethanesulfonamide?
The InChIKey is KSLWTGGJNHNPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S2/c1-2-27(23,24)22-16-9-7-14-8-10-17(12-15(14)11-16)25-13-20-21-18-5-3-4-6-19(18)26-20/h3-12,22H,2,13H2,1H3.
What are the key properties of N-[7-(1,3-benzothiazol-2-ylmethoxy)naphthalen-2-yl]ethanesulfonamide?
N-[7-(1,3-benzothiazol-2-ylmethoxy)naphthalen-2-yl]ethanesulfonamide has a molecular weight of 398.51 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1,3-benzothiazol-2-ylmethoxy)naphthalen-2-yl]ethanesulfonamide is sourced from PubChem (CID 14548148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).