[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone

C19H20ClNO3S — CID 90587778

IUPAC[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1C
InChIInChI=1S/C19H20ClNO3S/c1-13-3-4-15(11-14(13)2)19(22)21-10-9-18(12-21)25(23,24)17-7-5-16(20)6-8-17/h3-8,11,18H,9-10,12H2,1-2H3
InChIKeyMDRCXNYHGHRIFP-UHFFFAOYSA-N
MW377.89 g/mol
LogP3.65
Rot. Bonds3

About [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone

[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone (PubChem CID 90587778) has the molecular formula C19H20ClNO3S and a molecular weight of 377.89 g/mol. Its IUPAC name is [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone
PubChem CID90587778
Molecular FormulaC19H20ClNO3S
Molecular Weight377.89 g/mol
Exact Mass377.09
IUPAC Name[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1C
InChIInChI=1S/C19H20ClNO3S/c1-13-3-4-15(11-14(13)2)19(22)21-10-9-18(12-21)25(23,24)17-7-5-16(20)6-8-17/h3-8,11,18H,9-10,12H2,1-2H3
InChIKeyMDRCXNYHGHRIFP-UHFFFAOYSA-N
XLogP3.65
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 97427307
(3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone
CID 71806028
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 67168519
(4-chlorophenyl)-[(3S)-3-methylsulfonylpyrrolidin-1-yl]methanone
CID 97414892
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]butan-1-one
CID 90587716
3-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90587847
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone
CID 90586593
(2-bromo-5-methoxyphenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone
CID 90587636
4-(4-chlorophenyl)sulfonylpiperidine-1-carbonyl chloride
CID 87288005
[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 97417199

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone?
The IUPAC name of [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone (CID 90587778) is [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1C.
What is the InChIKey of [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone?
The InChIKey is MDRCXNYHGHRIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3S/c1-13-3-4-15(11-14(13)2)19(22)21-10-9-18(12-21)25(23,24)17-7-5-16(20)6-8-17/h3-8,11,18H,9-10,12H2,1-2H3.
What are the key properties of [3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone?
[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone has a molecular weight of 377.89 g/mol, XLogP of 3.65, 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]-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 90587778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).