N-(4-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide

C19H22BrN3O3S — CID 110166891

IUPACN-(4-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCN1CCN(Cc2cccc(C(=O)NS(=O)(=O)c3ccc(Br)cc3)c2)CC1
InChIInChI=1S/C19H22BrN3O3S/c1-22-9-11-23(12-10-22)14-15-3-2-4-16(13-15)19(24)21-27(25,26)18-7-5-17(20)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyODPWVLZPBKKEGV-UHFFFAOYSA-N
MW452.37 g/mol
LogP2.32
Rot. Bonds5

About N-(4-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide

N-(4-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 110166891) has the molecular formula C19H22BrN3O3S and a molecular weight of 452.37 g/mol. Its IUPAC name is N-(4-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID110166891
Molecular FormulaC19H22BrN3O3S
Molecular Weight452.37 g/mol
Exact Mass451.06
IUPAC NameN-(4-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCN1CCN(Cc2cccc(C(=O)NS(=O)(=O)c3ccc(Br)cc3)c2)CC1
InChIInChI=1S/C19H22BrN3O3S/c1-22-9-11-23(12-10-22)14-15-3-2-4-16(13-15)19(24)21-27(25,26)18-7-5-17(20)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyODPWVLZPBKKEGV-UHFFFAOYSA-N
XLogP2.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919553
N-(1-amino-2-methylpropan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119523575
N-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 86783956
N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119507486
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
N-[[4-(methylsulfamoyl)phenyl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 47517219
(E)-N-hydroxy-3-[4-[(E)-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 24756560
N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119497673
N-[2-(4-aminophenyl)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119548776
N-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119477158
N-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119995787
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-(4-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 110166891) is N-(4-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(4-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-(4-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide is CN1CCN(Cc2cccc(C(=O)NS(=O)(=O)c3ccc(Br)cc3)c2)CC1.
What is the InChIKey of N-(4-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is ODPWVLZPBKKEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O3S/c1-22-9-11-23(12-10-22)14-15-3-2-4-16(13-15)19(24)21-27(25,26)18-7-5-17(20)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,21,24).
What are the key properties of N-(4-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide?
N-(4-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 452.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 110166891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).