[1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C19H20ClNO3S — CID 168672570

IUPAC[1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCc1ccc(C(c2ccccc2)N2CC(CS(=O)(=O)Cl)CC2=O)cc1
InChIInChI=1S/C19H20ClNO3S/c1-14-7-9-17(10-8-14)19(16-5-3-2-4-6-16)21-12-15(11-18(21)22)13-25(20,23)24/h2-10,15,19H,11-13H2,1H3
InChIKeyMTZYGKCMKQAVIT-UHFFFAOYSA-N
MW377.89 g/mol
LogP3.50
Rot. Bonds5

About [1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168672570) has the molecular formula C19H20ClNO3S and a molecular weight of 377.89 g/mol. Its IUPAC name is [1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168672570
Molecular FormulaC19H20ClNO3S
Molecular Weight377.89 g/mol
Exact Mass377.09
IUPAC Name[1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCc1ccc(C(c2ccccc2)N2CC(CS(=O)(=O)Cl)CC2=O)cc1
InChIInChI=1S/C19H20ClNO3S/c1-14-7-9-17(10-8-14)19(16-5-3-2-4-6-16)21-12-15(11-18(21)22)13-25(20,23)24/h2-10,15,19H,11-13H2,1H3
InChIKeyMTZYGKCMKQAVIT-UHFFFAOYSA-N
XLogP3.50
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-1-[(4-methylphenyl)-phenylmethyl]pyrrolidin-2-one
CID 168661723
[1-[furan-2-yl(phenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672580
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 84701616
[1-[1-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672553
[5-oxo-1-(1-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168672520
[1-(2-methyl-1-pyridin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672467
(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride
CID 168672525
[1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672548
[1-[4-(4-methylphenoxy)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673318
1-benzhydryl-5-oxopyrrolidine-3-sulfonamide
CID 168718070
1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714742
[1-(2,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673300

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168672570) is [1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is Cc1ccc(C(c2ccccc2)N2CC(CS(=O)(=O)Cl)CC2=O)cc1.
What is the InChIKey of [1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is MTZYGKCMKQAVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3S/c1-14-7-9-17(10-8-14)19(16-5-3-2-4-6-16)21-12-15(11-18(21)22)13-25(20,23)24/h2-10,15,19H,11-13H2,1H3.
What are the key properties of [1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 377.89 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168672570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).