N-(2-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide

C23H20BrClFN3O3S — CID 4104108

IUPACN-(2-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide
SMILESO=C(Nc1ccccc1Br)c1cc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)ccc1F
InChIInChI=1S/C23H20BrClFN3O3S/c24-18-5-1-3-7-21(18)27-23(30)17-15-16(9-10-20(17)26)33(31,32)29-13-11-28(12-14-29)22-8-4-2-6-19(22)25/h1-10,15H,11-14H2,(H,27,30)
InChIKeyMUJGIQCFOJWWBW-UHFFFAOYSA-N
MW552.85 g/mol
LogP5.00
Rot. Bonds5

About N-(2-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide

N-(2-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide (PubChem CID 4104108) has the molecular formula C23H20BrClFN3O3S and a molecular weight of 552.85 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide
PubChem CID4104108
Molecular FormulaC23H20BrClFN3O3S
Molecular Weight552.85 g/mol
Exact Mass551.01
IUPAC NameN-(2-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide
SMILESO=C(Nc1ccccc1Br)c1cc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)ccc1F
InChIInChI=1S/C23H20BrClFN3O3S/c24-18-5-1-3-7-21(18)27-23(30)17-15-16(9-10-20(17)26)33(31,32)29-13-11-28(12-14-29)22-8-4-2-6-19(22)25/h1-10,15H,11-14H2,(H,27,30)
InChIKeyMUJGIQCFOJWWBW-UHFFFAOYSA-N
XLogP5.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.85
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
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2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
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N-(3-chloro-2-fluorophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 26309220
N-(4-bromophenyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide
CID 15998852
N-(2-bromo-4,6-difluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
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5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
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CID 24979952
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 39752606
N-(2,4-dichlorophenyl)-2-fluoro-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide
CID 6616787
N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide?
The IUPAC name of N-(2-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide (CID 4104108) is N-(2-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide.
What is the SMILES notation for N-(2-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide?
The canonical SMILES for N-(2-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide is O=C(Nc1ccccc1Br)c1cc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)ccc1F.
What is the InChIKey of N-(2-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide?
The InChIKey is MUJGIQCFOJWWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrClFN3O3S/c24-18-5-1-3-7-21(18)27-23(30)17-15-16(9-10-20(17)26)33(31,32)29-13-11-28(12-14-29)22-8-4-2-6-19(22)25/h1-10,15H,11-14H2,(H,27,30).
What are the key properties of N-(2-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide?
N-(2-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide has a molecular weight of 552.85 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide is sourced from PubChem (CID 4104108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).