1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine

C10H11ClFNO2S — CID 697773

IUPAC1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCCC1
InChIInChI=1S/C10H11ClFNO2S/c11-9-7-8(3-4-10(9)12)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
InChIKeyGHYSMGODQRXOFH-UHFFFAOYSA-N
MW263.72 g/mol
LogP2.26
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine

1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine (PubChem CID 697773) has the molecular formula C10H11ClFNO2S and a molecular weight of 263.72 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
PubChem CID697773
Molecular FormulaC10H11ClFNO2S
Molecular Weight263.72 g/mol
Exact Mass263.02
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCCC1
InChIInChI=1S/C10H11ClFNO2S/c11-9-7-8(3-4-10(9)12)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
InChIKeyGHYSMGODQRXOFH-UHFFFAOYSA-N
XLogP2.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylsulfonyl-1,4-diazepane
CID 31814418
1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane
CID 43361733
4-(3-chloro-4-fluorophenyl)sulfonylpiperazine-1-carbaldehyde
CID 3872116
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
(3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79411226
2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63310097
9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 23909983
8-(3-chloro-4-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 161172745
(4R,5S)-7-(3-chloro-4-fluorophenyl)sulfonyl-7-azaspiro[4.5]decan-4-ol
CID 135101982
4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2938439
1-(3-chloro-4-fluorophenyl)sulfonyl-3,5-dimethylpiperazine
CID 63872347
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine (CID 697773) is 1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCCC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine?
The InChIKey is GHYSMGODQRXOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2S/c11-9-7-8(3-4-10(9)12)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine?
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine has a molecular weight of 263.72 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 697773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).