N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)naphthalene-2-sulfonamide

C17H16N2O2S2 — CID 911706

IUPACN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2c(s1)CCCC2)c1ccc2ccccc2c1
InChIInChI=1S/C17H16N2O2S2/c20-23(21,14-10-9-12-5-1-2-6-13(12)11-14)19-17-18-15-7-3-4-8-16(15)22-17/h1-2,5-6,9-11H,3-4,7-8H2,(H,18,19)
InChIKeyBDNABQXVYLDCOY-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.98
Rot. Bonds3

About N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)naphthalene-2-sulfonamide

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)naphthalene-2-sulfonamide (PubChem CID 911706) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)naphthalene-2-sulfonamide
PubChem CID911706
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2c(s1)CCCC2)c1ccc2ccccc2c1
InChIInChI=1S/C17H16N2O2S2/c20-23(21,14-10-9-12-5-1-2-6-13(12)11-14)19-17-18-15-7-3-4-8-16(15)22-17/h1-2,5-6,9-11H,3-4,7-8H2,(H,18,19)
InChIKeyBDNABQXVYLDCOY-UHFFFAOYSA-N
XLogP3.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)naphthalene-2-sulfonamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)naphthalene-2-sulfonamide (CID 911706) is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)naphthalene-2-sulfonamide is O=S(=O)(Nc1nc2c(s1)CCCC2)c1ccc2ccccc2c1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)naphthalene-2-sulfonamide?
The InChIKey is BDNABQXVYLDCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c20-23(21,14-10-9-12-5-1-2-6-13(12)11-14)19-17-18-15-7-3-4-8-16(15)22-17/h1-2,5-6,9-11H,3-4,7-8H2,(H,18,19).
What are the key properties of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)naphthalene-2-sulfonamide?
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)naphthalene-2-sulfonamide has a molecular weight of 344.46 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 911706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).