4-fluoro-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide

C19H22FNO3S — CID 27450316

IUPAC4-fluoro-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H22FNO3S/c1-15-13-17(20)7-8-18(15)25(22,23)21-14-19(9-11-24-12-10-19)16-5-3-2-4-6-16/h2-8,13,21H,9-12,14H2,1H3
InChIKeyJYXKRTUWNWYABI-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.16
Rot. Bonds5

About 4-fluoro-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide

4-fluoro-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide (PubChem CID 27450316) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide
PubChem CID27450316
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name4-fluoro-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H22FNO3S/c1-15-13-17(20)7-8-18(15)25(22,23)21-14-19(9-11-24-12-10-19)16-5-3-2-4-6-16/h2-8,13,21H,9-12,14H2,1H3
InChIKeyJYXKRTUWNWYABI-UHFFFAOYSA-N
XLogP3.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)benzenesulfonamide
CID 753532
N-[2-(2-Isopropyl-4-p-tolyl-tetrahydro-pyran-4-yl)-ethyl]-4-methyl-benzenesulfonamide
CID 3831515
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]benzenesulfonamide
CID 2930343
N-[2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-4-methylbenzenesulfonamide
CID 2951140
N-((4-(4-fluorophenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,4-dimethylbenzenesulfonamide
CID 27451454
N-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzene-1-sulfonamide
CID 37557128
4-Fluoro-3-methyl-N-[(4-methyloxan-4-YL)methyl]benzene-1-sulfonamide
CID 71686923
N-[2-(3-fluoro-5,5-dimethyloxan-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 177851398
N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)propane-1-sulfonamide
CID 45561173
2-methyl-N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)propane-1-sulfonamide
CID 45561175
N-[(4-phenyloxepan-4-yl)methyl]benzenesulfonamide
CID 53165523
5-fluoro-N-(1-methoxy-3-phenylpropan-2-yl)-2-methylbenzenesulfonamide
CID 6735577

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide (CID 27450316) is 4-fluoro-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-fluoro-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is JYXKRTUWNWYABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-15-13-17(20)7-8-18(15)25(22,23)21-14-19(9-11-24-12-10-19)16-5-3-2-4-6-16/h2-8,13,21H,9-12,14H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide has a molecular weight of 363.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 27450316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).