1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine

C23H21ClF2N2O2S — CID 92772065

IUPAC1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine
SMILESO=S(=O)(c1cccc(Cl)c1F)N1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H21ClF2N2O2S/c24-20-7-4-8-21(22(20)26)31(29,30)28-15-13-27(14-16-28)23(17-5-2-1-3-6-17)18-9-11-19(25)12-10-18/h1-12,23H,13-16H2
InChIKeyYHSCEBUQTSSVSP-UHFFFAOYSA-N
MW462.95 g/mol
LogP4.71
Rot. Bonds5

About 1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine

1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine (PubChem CID 92772065) has the molecular formula C23H21ClF2N2O2S and a molecular weight of 462.95 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine
PubChem CID92772065
Molecular FormulaC23H21ClF2N2O2S
Molecular Weight462.95 g/mol
Exact Mass462.10
IUPAC Name1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine
SMILESO=S(=O)(c1cccc(Cl)c1F)N1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H21ClF2N2O2S/c24-20-7-4-8-21(22(20)26)31(29,30)28-15-13-27(14-16-28)23(17-5-2-1-3-6-17)18-9-11-19(25)12-10-18/h1-12,23H,13-16H2
InChIKeyYHSCEBUQTSSVSP-UHFFFAOYSA-N
XLogP4.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.95
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine
CID 92772321
1-[(S)-(4-fluorophenyl)-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 92772560
1-[(S)-(4-methylphenyl)-phenylmethyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 92772886
1-(3-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 43361281
1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43428221
2-[3-[(4-chlorophenyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]acetic acid
CID 24877233
2-[1-(3-chloro-2-fluorophenyl)sulfonylazetidin-3-yl]propanoic acid
CID 116681791
5-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
CID 92655636
4-[bis(4-fluorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 35315029
1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine
CID 92770848
(3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 94340393

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine (CID 92772065) is 1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine is O=S(=O)(c1cccc(Cl)c1F)N1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine?
The InChIKey is YHSCEBUQTSSVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2N2O2S/c24-20-7-4-8-21(22(20)26)31(29,30)28-15-13-27(14-16-28)23(17-5-2-1-3-6-17)18-9-11-19(25)12-10-18/h1-12,23H,13-16H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine?
1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine has a molecular weight of 462.95 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine is sourced from PubChem (CID 92772065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).