4-fluoro-3-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]benzenesulfonamide

C17H17FN2O4S — CID 97112057

IUPAC4-fluoro-3-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]benzenesulfonamide
SMILESCOc1cccc([C@H]2CCN2C(=O)c2cc(S(N)(=O)=O)ccc2F)c1
InChIInChI=1S/C17H17FN2O4S/c1-24-12-4-2-3-11(9-12)16-7-8-20(16)17(21)14-10-13(25(19,22)23)5-6-15(14)18/h2-6,9-10,16H,7-8H2,1H3,(H2,19,22,23)/t16-/m1/s1
InChIKeyMWKOQPRHFDSMGF-MRXNPFEDSA-N
MW364.40 g/mol
LogP2.07
Rot. Bonds4

About 4-fluoro-3-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]benzenesulfonamide

4-fluoro-3-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]benzenesulfonamide (PubChem CID 97112057) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-fluoro-3-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]benzenesulfonamide
PubChem CID97112057
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC Name4-fluoro-3-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]benzenesulfonamide
SMILESCOc1cccc([C@H]2CCN2C(=O)c2cc(S(N)(=O)=O)ccc2F)c1
InChIInChI=1S/C17H17FN2O4S/c1-24-12-4-2-3-11(9-12)16-7-8-20(16)17(21)14-10-13(25(19,22)23)5-6-15(14)18/h2-6,9-10,16H,7-8H2,1H3,(H2,19,22,23)/t16-/m1/s1
InChIKeyMWKOQPRHFDSMGF-MRXNPFEDSA-N
XLogP2.07
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-aminopropoxy)-5-fluorophenyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 118767196
(1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928860
(1,5-dimethylpyrrol-2-yl)-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928859
4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide
CID 65388554
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone
CID 74232483
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
[6-(methoxymethyl)-2-pyridinyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 74235529
(2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51929591
N-methoxy-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 46699988
[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 95127124
[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 95121040

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]benzenesulfonamide (CID 97112057) is 4-fluoro-3-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]benzenesulfonamide is COc1cccc([C@H]2CCN2C(=O)c2cc(S(N)(=O)=O)ccc2F)c1.
What is the InChIKey of 4-fluoro-3-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]benzenesulfonamide?
The InChIKey is MWKOQPRHFDSMGF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c1-24-12-4-2-3-11(9-12)16-7-8-20(16)17(21)14-10-13(25(19,22)23)5-6-15(14)18/h2-6,9-10,16H,7-8H2,1H3,(H2,19,22,23)/t16-/m1/s1.
What are the key properties of 4-fluoro-3-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]benzenesulfonamide?
4-fluoro-3-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]benzenesulfonamide has a molecular weight of 364.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 97112057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).