4-fluoro-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]naphthalene-2-sulfonamide

C21H17FN2O3S — CID 166330692

IUPAC4-fluoro-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]naphthalene-2-sulfonamide
SMILESCc1c(CNS(=O)(=O)c2cc(F)c3ccccc3c2)noc1-c1ccccc1
InChIInChI=1S/C21H17FN2O3S/c1-14-20(24-27-21(14)15-7-3-2-4-8-15)13-23-28(25,26)17-11-16-9-5-6-10-18(16)19(22)12-17/h2-12,23H,13H2,1H3
InChIKeyMQFAMTVGIPQLEB-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.42
Rot. Bonds5

About 4-fluoro-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]naphthalene-2-sulfonamide

4-fluoro-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]naphthalene-2-sulfonamide (PubChem CID 166330692) has the molecular formula C21H17FN2O3S and a molecular weight of 396.44 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]naphthalene-2-sulfonamide
PubChem CID166330692
Molecular FormulaC21H17FN2O3S
Molecular Weight396.44 g/mol
Exact Mass396.09
IUPAC Name4-fluoro-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]naphthalene-2-sulfonamide
SMILESCc1c(CNS(=O)(=O)c2cc(F)c3ccccc3c2)noc1-c1ccccc1
InChIInChI=1S/C21H17FN2O3S/c1-14-20(24-27-21(14)15-7-3-2-4-8-15)13-23-28(25,26)17-11-16-9-5-6-10-18(16)19(22)12-17/h2-12,23H,13H2,1H3
InChIKeyMQFAMTVGIPQLEB-UHFFFAOYSA-N
XLogP4.42
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Valdecoxib
CID 119607
Parecoxib
CID 119828
N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]naphthalene-1-sulfonamide
CID 56944665
N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]naphthalene-2-sulfonamide
CID 56944668
N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]naphthalene-2-sulfonamide
CID 56944763
N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]naphthalene-1-sulfonamide
CID 56944859
N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]naphthalene-1-sulfonamide
CID 66801167
N-[(3R)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 162650362
N-[(3S)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 162659494
4-methyl-N-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]benzenesulfonamide
CID 2738171
2-Fluoro-4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide
CID 9858791
N-hydroxi-4-(3-phenyl-5-methyl-isoxazole-4-yl)-benzenesulfonamide monohydrate
CID 11198845

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]naphthalene-2-sulfonamide?
The IUPAC name of 4-fluoro-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]naphthalene-2-sulfonamide (CID 166330692) is 4-fluoro-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for 4-fluoro-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]naphthalene-2-sulfonamide?
The canonical SMILES for 4-fluoro-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]naphthalene-2-sulfonamide is Cc1c(CNS(=O)(=O)c2cc(F)c3ccccc3c2)noc1-c1ccccc1.
What is the InChIKey of 4-fluoro-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]naphthalene-2-sulfonamide?
The InChIKey is MQFAMTVGIPQLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3S/c1-14-20(24-27-21(14)15-7-3-2-4-8-15)13-23-28(25,26)17-11-16-9-5-6-10-18(16)19(22)12-17/h2-12,23H,13H2,1H3.
What are the key properties of 4-fluoro-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]naphthalene-2-sulfonamide?
4-fluoro-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]naphthalene-2-sulfonamide has a molecular weight of 396.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 166330692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).