N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methoxynaphthalene-1-sulfonamide

C16H16N2O4S — CID 10449431

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methoxynaphthalene-1-sulfonamide
SMILESCOc1cccc2c(S(=O)(=O)Nc3onc(C)c3C)cccc12
InChIInChI=1S/C16H16N2O4S/c1-10-11(2)17-22-16(10)18-23(19,20)15-9-5-6-12-13(15)7-4-8-14(12)21-3/h4-9,18H,1-3H3
InChIKeyWNTHOLVCVUVGCW-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.25
Rot. Bonds4

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methoxynaphthalene-1-sulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methoxynaphthalene-1-sulfonamide (PubChem CID 10449431) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methoxynaphthalene-1-sulfonamide
PubChem CID10449431
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methoxynaphthalene-1-sulfonamide
SMILESCOc1cccc2c(S(=O)(=O)Nc3onc(C)c3C)cccc12
InChIInChI=1S/C16H16N2O4S/c1-10-11(2)17-22-16(10)18-23(19,20)15-9-5-6-12-13(15)7-4-8-14(12)21-3/h4-9,18H,1-3H3
InChIKeyWNTHOLVCVUVGCW-UHFFFAOYSA-N
XLogP3.25
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Hydroxy-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10336018
Naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10357554
4''-Isobutoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10525034
4''-Isobutyl-2''-methoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10597897
4''-Isopropoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10620185
2''-Hydroxy-4''-isobutyl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10668703
4''-Isobutyl-5-methoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10693130
4''-Methoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10713411
4''-Benzyloxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10836583
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
CID 10549727
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-hydroxyethoxy)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
CID 10670965
5-Isopropenyl-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10043017

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methoxynaphthalene-1-sulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methoxynaphthalene-1-sulfonamide (CID 10449431) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methoxynaphthalene-1-sulfonamide is COc1cccc2c(S(=O)(=O)Nc3onc(C)c3C)cccc12.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methoxynaphthalene-1-sulfonamide?
The InChIKey is WNTHOLVCVUVGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-10-11(2)17-22-16(10)18-23(19,20)15-9-5-6-12-13(15)7-4-8-14(12)21-3/h4-9,18H,1-3H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methoxynaphthalene-1-sulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methoxynaphthalene-1-sulfonamide has a molecular weight of 332.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 10449431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).