2,4-dichloro-N-(3-chloro-4-fluoro-5-methylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide

C19H19Cl3FN3O3S — CID 160735202

IUPAC2,4-dichloro-N-(3-chloro-4-fluoro-5-methylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)c(Cl)cc2Cl)cc(Cl)c1F
InChIInChI=1S/C19H19Cl3FN3O3S/c1-11-7-12(8-16(22)18(11)23)24-19(27)13-9-17(15(21)10-14(13)20)30(28,29)26-5-3-25(2)4-6-26/h7-10H,3-6H2,1-2H3,(H,24,27)
InChIKeyXYQRAQJVGXHCNY-UHFFFAOYSA-N
MW494.80 g/mol
LogP4.28
Rot. Bonds4

About 2,4-dichloro-N-(3-chloro-4-fluoro-5-methylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide

2,4-dichloro-N-(3-chloro-4-fluoro-5-methylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 160735202) has the molecular formula C19H19Cl3FN3O3S and a molecular weight of 494.80 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-chloro-4-fluoro-5-methylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-chloro-4-fluoro-5-methylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
PubChem CID160735202
Molecular FormulaC19H19Cl3FN3O3S
Molecular Weight494.80 g/mol
Exact Mass493.02
IUPAC Name2,4-dichloro-N-(3-chloro-4-fluoro-5-methylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)c(Cl)cc2Cl)cc(Cl)c1F
InChIInChI=1S/C19H19Cl3FN3O3S/c1-11-7-12(8-16(22)18(11)23)24-19(27)13-9-17(15(21)10-14(13)20)30(28,29)26-5-3-25(2)4-6-26/h7-10H,3-6H2,1-2H3,(H,24,27)
InChIKeyXYQRAQJVGXHCNY-UHFFFAOYSA-N
XLogP4.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.80
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-(3-chloro-4-fluoro-5-methylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarbothioamide
CID 161056346
2-chloro-4,5-difluoro-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 34071219
5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 100537160
N-(3-chloro-4-fluorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968694
2-chloro-4-fluoro-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 68677744
N-(3-chloro-4-methylphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968879
2,4-dichloro-N-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzamide chloride
CID 53347329
2-chloro-N-(3-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969383
2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(4-propan-2-ylphenyl)benzamide
CID 99969341
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26358776
2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 71903942
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3368356

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-chloro-4-fluoro-5-methylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-(3-chloro-4-fluoro-5-methylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide (CID 160735202) is 2,4-dichloro-N-(3-chloro-4-fluoro-5-methylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(3-chloro-4-fluoro-5-methylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(3-chloro-4-fluoro-5-methylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide is Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)c(Cl)cc2Cl)cc(Cl)c1F.
What is the InChIKey of 2,4-dichloro-N-(3-chloro-4-fluoro-5-methylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is XYQRAQJVGXHCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl3FN3O3S/c1-11-7-12(8-16(22)18(11)23)24-19(27)13-9-17(15(21)10-14(13)20)30(28,29)26-5-3-25(2)4-6-26/h7-10H,3-6H2,1-2H3,(H,24,27).
What are the key properties of 2,4-dichloro-N-(3-chloro-4-fluoro-5-methylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide?
2,4-dichloro-N-(3-chloro-4-fluoro-5-methylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 494.80 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-chloro-4-fluoro-5-methylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 160735202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).