[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-fluorophenyl)methanone

C17H15ClFNO3S — CID 90587568

IUPAC[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H15ClFNO3S/c18-12-5-7-13(8-6-12)24(22,23)14-9-10-20(11-14)17(21)15-3-1-2-4-16(15)19/h1-8,14H,9-11H2
InChIKeyMWUYSCZTYFFVIP-UHFFFAOYSA-N
MW367.83 g/mol
LogP3.17
Rot. Bonds3

About [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-fluorophenyl)methanone

[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 90587568) has the molecular formula C17H15ClFNO3S and a molecular weight of 367.83 g/mol. Its IUPAC name is [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-fluorophenyl)methanone
PubChem CID90587568
Molecular FormulaC17H15ClFNO3S
Molecular Weight367.83 g/mol
Exact Mass367.04
IUPAC Name[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H15ClFNO3S/c18-12-5-7-13(8-6-12)24(22,23)14-9-10-20(11-14)17(21)15-3-1-2-4-16(15)19/h1-8,14H,9-11H2
InChIKeyMWUYSCZTYFFVIP-UHFFFAOYSA-N
XLogP3.17
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-Chloro-phenylsulfanylmethyl)-phenyl]-(4-methyl-piperidin-1-yl)-methanone
CID 1153922
N-(5-Chloro-2-ethanesulfonyl-benzyl)-3-trifluoromethyl-benzamide
CID 72195071
4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide
CID 5233401
1-(4-{[(4-Chlorophenyl)thio]methyl}benzoyl)pyrrolidine
CID 875414
3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 662244
4-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(2-thienylmethyl)benzamide
CID 2944957
[4-(4-Chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 70685476
2-[(2-Chloro-6-fluorophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 4203203
N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 72195074
3-chloro-N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 72195075
3-chloro-N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-5-(trifluoromethyl)benzamide
CID 72195209
N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 72195211

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-fluorophenyl)methanone (CID 90587568) is [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is MWUYSCZTYFFVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3S/c18-12-5-7-13(8-6-12)24(22,23)14-9-10-20(11-14)17(21)15-3-1-2-4-16(15)19/h1-8,14H,9-11H2.
What are the key properties of [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-fluorophenyl)methanone?
[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 367.83 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 90587568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).