N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide

C14H12N2O2S2 — CID 110443097

IUPACN-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1nccs1)c1ccc2ccccc2c1
InChIInChI=1S/C14H12N2O2S2/c17-20(18,16-10-14-15-7-8-19-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-9,16H,10H2
InChIKeyDXKDQDFJQLRAGF-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.77
Rot. Bonds4

About N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide

N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide (PubChem CID 110443097) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide
PubChem CID110443097
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC NameN-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1nccs1)c1ccc2ccccc2c1
InChIInChI=1S/C14H12N2O2S2/c17-20(18,16-10-14-15-7-8-19-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-9,16H,10H2
InChIKeyDXKDQDFJQLRAGF-UHFFFAOYSA-N
XLogP2.77
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110446621
4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440454
4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 115329878
3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 61285408
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide
CID 3742341
2-amino-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62158449
N-(2-bromoethyl)naphthalene-2-sulfonamide
CID 4737381
N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide
CID 3780847
4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide
CID 115944450
N-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide
CID 72855243
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]naphthalene-2-sulfonamide
CID 90496859

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide (CID 110443097) is N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide is O=S(=O)(NCc1nccs1)c1ccc2ccccc2c1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide?
The InChIKey is DXKDQDFJQLRAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c17-20(18,16-10-14-15-7-8-19-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-9,16H,10H2.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide?
N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide has a molecular weight of 304.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 110443097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).