3-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methylquinoline

C21H21ClFN3O2S — CID 29115495

IUPAC3-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methylquinoline
SMILESCc1c(Cl)c(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)nc2ccccc12
InChIInChI=1S/C21H21ClFN3O2S/c1-15-16-6-2-4-8-18(16)24-19(21(15)22)14-25-10-12-26(13-11-25)29(27,28)20-9-5-3-7-17(20)23/h2-9H,10-14H2,1H3
InChIKeyKYORHDLDARKGMC-UHFFFAOYSA-N
MW433.94 g/mol
LogP3.84
Rot. Bonds4

About 3-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methylquinoline

3-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methylquinoline (PubChem CID 29115495) has the molecular formula C21H21ClFN3O2S and a molecular weight of 433.94 g/mol. Its IUPAC name is 3-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methylquinoline.

Molecular Properties

Compound Name3-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methylquinoline
PubChem CID29115495
Molecular FormulaC21H21ClFN3O2S
Molecular Weight433.94 g/mol
Exact Mass433.10
IUPAC Name3-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methylquinoline
SMILESCc1c(Cl)c(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)nc2ccccc12
InChIInChI=1S/C21H21ClFN3O2S/c1-15-16-6-2-4-8-18(16)24-19(21(15)22)14-25-10-12-26(13-11-25)29(27,28)20-9-5-3-7-17(20)23/h2-9H,10-14H2,1H3
InChIKeyKYORHDLDARKGMC-UHFFFAOYSA-N
XLogP3.84
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 8749281
methyl (2S)-2-[[2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]quinazolin-4-yl]amino]-3-methylbutanoate
CID 58809739
1-[(3-chloro-4-methylquinolin-2-yl)methyl]azetidin-3-amine
CID 65250174
(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine
CID 81492580
2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4,6-dimethoxyquinoline
CID 171348067
3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride
CID 119924677
3-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2-benzoxazole
CID 46379757
(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]piperidine-3-carboxylic acid
CID 124694319
2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135875306
6-chloro-7-ethyl-4-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one
CID 55351153
4-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-6,7-dimethylchromen-2-one
CID 27184655
1-(2-fluorophenyl)sulfonyl-4-pentylpiperazine
CID 45369127

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methylquinoline?
The IUPAC name of 3-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methylquinoline (CID 29115495) is 3-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methylquinoline.
What is the SMILES notation for 3-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methylquinoline?
The canonical SMILES for 3-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methylquinoline is Cc1c(Cl)c(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)nc2ccccc12.
What is the InChIKey of 3-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methylquinoline?
The InChIKey is KYORHDLDARKGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O2S/c1-15-16-6-2-4-8-18(16)24-19(21(15)22)14-25-10-12-26(13-11-25)29(27,28)20-9-5-3-7-17(20)23/h2-9H,10-14H2,1H3.
What are the key properties of 3-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methylquinoline?
3-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methylquinoline has a molecular weight of 433.94 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-methylquinoline is sourced from PubChem (CID 29115495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).