N-[2-(1,3-benzothiazol-2-yl)ethyl]naphthalene-2-sulfonamide

C19H16N2O2S2 — CID 9190734

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCc1nc2ccccc2s1)c1ccc2ccccc2c1
InChIInChI=1S/C19H16N2O2S2/c22-25(23,16-10-9-14-5-1-2-6-15(14)13-16)20-12-11-19-21-17-7-3-4-8-18(17)24-19/h1-10,13,20H,11-12H2
InChIKeyQLFYVDUNSWWTAV-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.97
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)ethyl]naphthalene-2-sulfonamide

N-[2-(1,3-benzothiazol-2-yl)ethyl]naphthalene-2-sulfonamide (PubChem CID 9190734) has the molecular formula C19H16N2O2S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]naphthalene-2-sulfonamide
PubChem CID9190734
Molecular FormulaC19H16N2O2S2
Molecular Weight368.48 g/mol
Exact Mass368.07
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCc1nc2ccccc2s1)c1ccc2ccccc2c1
InChIInChI=1S/C19H16N2O2S2/c22-25(23,16-10-9-14-5-1-2-6-15(14)13-16)20-12-11-19-21-17-7-3-4-8-18(17)24-19/h1-10,13,20H,11-12H2
InChIKeyQLFYVDUNSWWTAV-UHFFFAOYSA-N
XLogP3.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 78809854
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 78845500
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 71866461
4-[2-(1,3-benzothiazol-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 167952980
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 9190738
1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea
CID 78832241
N-(2-bromoethyl)naphthalene-2-sulfonamide
CID 4737381
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide
CID 18554591
N-(1,3-benzothiazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 32944502
N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 43069920
N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 24549977

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]naphthalene-2-sulfonamide (CID 9190734) is N-[2-(1,3-benzothiazol-2-yl)ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]naphthalene-2-sulfonamide is O=S(=O)(NCCc1nc2ccccc2s1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]naphthalene-2-sulfonamide?
The InChIKey is QLFYVDUNSWWTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S2/c22-25(23,16-10-9-14-5-1-2-6-15(14)13-16)20-12-11-19-21-17-7-3-4-8-18(17)24-19/h1-10,13,20H,11-12H2.
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]naphthalene-2-sulfonamide?
N-[2-(1,3-benzothiazol-2-yl)ethyl]naphthalene-2-sulfonamide has a molecular weight of 368.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 9190734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).