5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide

C19H21BrClN3O3S — CID 100537160

IUPAC5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C19H21BrClN3O3S/c1-13-3-5-15(22-19(25)16-11-14(20)4-6-17(16)21)12-18(13)28(26,27)24-9-7-23(2)8-10-24/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)
InChIKeyJGJWRRSDDVSBJN-UHFFFAOYSA-N
MW486.82 g/mol
LogP3.60
Rot. Bonds4

About 5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide

5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide (PubChem CID 100537160) has the molecular formula C19H21BrClN3O3S and a molecular weight of 486.82 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
PubChem CID100537160
Molecular FormulaC19H21BrClN3O3S
Molecular Weight486.82 g/mol
Exact Mass485.02
IUPAC Name5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C19H21BrClN3O3S/c1-13-3-5-15(22-19(25)16-11-14(20)4-6-17(16)21)12-18(13)28(26,27)24-9-7-23(2)8-10-24/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)
InChIKeyJGJWRRSDDVSBJN-UHFFFAOYSA-N
XLogP3.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 56921230
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
N-(3-chloro-4-fluorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968694
N-(3-chloro-4-methylphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968879
N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705854
3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 56922332
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 56921836
2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 119943663
4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 78894571
2,4-dichloro-N-(3-chloro-4-fluoro-5-methylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 160735202
2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26759942

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide (CID 100537160) is 5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide is Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of 5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is JGJWRRSDDVSBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClN3O3S/c1-13-3-5-15(22-19(25)16-11-14(20)4-6-17(16)21)12-18(13)28(26,27)24-9-7-23(2)8-10-24/h3-6,11-12H,7-10H2,1-2H3,(H,22,25).
What are the key properties of 5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 486.82 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 100537160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).