2-chloro-4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide

C17H16ClFN2O3S — CID 35393983

IUPAC2-chloro-4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESO=C1CCCN1c1ccc(CNS(=O)(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H16ClFN2O3S/c18-15-10-13(19)5-8-16(15)25(23,24)20-11-12-3-6-14(7-4-12)21-9-1-2-17(21)22/h3-8,10,20H,1-2,9,11H2
InChIKeyQRQCRIAYVSGZBD-UHFFFAOYSA-N
MW382.84 g/mol
LogP3.08
Rot. Bonds5

About 2-chloro-4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide

2-chloro-4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 35393983) has the molecular formula C17H16ClFN2O3S and a molecular weight of 382.84 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
PubChem CID35393983
Molecular FormulaC17H16ClFN2O3S
Molecular Weight382.84 g/mol
Exact Mass382.06
IUPAC Name2-chloro-4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESO=C1CCCN1c1ccc(CNS(=O)(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H16ClFN2O3S/c18-15-10-13(19)5-8-16(15)25(23,24)20-11-12-3-6-14(7-4-12)21-9-1-2-17(21)22/h3-8,10,20H,1-2,9,11H2
InChIKeyQRQCRIAYVSGZBD-UHFFFAOYSA-N
XLogP3.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26540045
2,5-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 39667551
2-methyl-5-nitro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 26540010
2-methoxy-N-[(4-methoxyphenyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295654
N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99599483
2,4-difluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 1259715
methyl 3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]thiophene-2-carboxylate
CID 18148549
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295662
1-[4-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 135108946
3-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 8589520

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide (CID 35393983) is 2-chloro-4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide is O=C1CCCN1c1ccc(CNS(=O)(=O)c2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is QRQCRIAYVSGZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3S/c18-15-10-13(19)5-8-16(15)25(23,24)20-11-12-3-6-14(7-4-12)21-9-1-2-17(21)22/h3-8,10,20H,1-2,9,11H2.
What are the key properties of 2-chloro-4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide?
2-chloro-4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 382.84 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 35393983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).