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

C14H13N3O2S2 — CID 115944450

IUPAC4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2nccs2)c2ccccc12
InChIInChI=1S/C14H13N3O2S2/c15-12-5-6-13(11-4-2-1-3-10(11)12)21(18,19)17-9-14-16-7-8-20-14/h1-8,17H,9,15H2
InChIKeyAZKXGUHZCUTSKQ-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.36
Rot. Bonds4

About 4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide

4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide (PubChem CID 115944450) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide
PubChem CID115944450
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2nccs2)c2ccccc12
InChIInChI=1S/C14H13N3O2S2/c15-12-5-6-13(11-4-2-1-3-10(11)12)21(18,19)17-9-14-16-7-8-20-14/h1-8,17H,9,15H2
InChIKeyAZKXGUHZCUTSKQ-UHFFFAOYSA-N
XLogP2.36
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 62056645
5-amino-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61284223
4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 115329878
methyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate
CID 103833481
5-amino-4-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 114625413
4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide
CID 112594590
3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 61285408
N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide
CID 110443097
2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110738865
2-(aminomethyl)-5-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 102920624
2-amino-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62158449
4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440454

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide?
The IUPAC name of 4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide (CID 115944450) is 4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide is Nc1ccc(S(=O)(=O)NCc2nccs2)c2ccccc12.
What is the InChIKey of 4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide?
The InChIKey is AZKXGUHZCUTSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c15-12-5-6-13(11-4-2-1-3-10(11)12)21(18,19)17-9-14-16-7-8-20-14/h1-8,17H,9,15H2.
What are the key properties of 4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide?
4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide has a molecular weight of 319.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 115944450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).