4-chloro-N-[2-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide

C24H23ClFN3O4S — CID 18892691

IUPAC4-chloro-N-[2-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)CC1
InChIInChI=1S/C24H23ClFN3O4S/c1-33-23-5-3-2-4-22(23)28-12-14-29(15-13-28)34(31,32)19-10-11-21(20(26)16-19)27-24(30)17-6-8-18(25)9-7-17/h2-11,16H,12-15H2,1H3,(H,27,30)
InChIKeyMFOWHSMBDRDEAH-UHFFFAOYSA-N
MW503.98 g/mol
LogP4.25
Rot. Bonds6

About 4-chloro-N-[2-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide

4-chloro-N-[2-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide (PubChem CID 18892691) has the molecular formula C24H23ClFN3O4S and a molecular weight of 503.98 g/mol. Its IUPAC name is 4-chloro-N-[2-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
PubChem CID18892691
Molecular FormulaC24H23ClFN3O4S
Molecular Weight503.98 g/mol
Exact Mass503.11
IUPAC Name4-chloro-N-[2-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)CC1
InChIInChI=1S/C24H23ClFN3O4S/c1-33-23-5-3-2-4-22(23)28-12-14-29(15-13-28)34(31,32)19-10-11-21(20(26)16-19)27-24(30)17-6-8-18(25)9-7-17/h2-11,16H,12-15H2,1H3,(H,27,30)
InChIKeyMFOWHSMBDRDEAH-UHFFFAOYSA-N
XLogP4.25
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.98
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide
CID 4068447
N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-fluorophenyl]-4-chlorobenzamide
CID 18892684
5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
CID 3585921
2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 17320520
4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18893490
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
3,4,5-trimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17320426
5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 46362988
2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17319627
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2324705
2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide
CID 17321010

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide (CID 18892691) is 4-chloro-N-[2-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide is COc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)CC1.
What is the InChIKey of 4-chloro-N-[2-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide?
The InChIKey is MFOWHSMBDRDEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O4S/c1-33-23-5-3-2-4-22(23)28-12-14-29(15-13-28)34(31,32)19-10-11-21(20(26)16-19)27-24(30)17-6-8-18(25)9-7-17/h2-11,16H,12-15H2,1H3,(H,27,30).
What are the key properties of 4-chloro-N-[2-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide?
4-chloro-N-[2-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide has a molecular weight of 503.98 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide is sourced from PubChem (CID 18892691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).