N-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide

C20H23BrN2O3S — CID 92671481

IUPACN-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)ccc1Br
InChIInChI=1S/C20H23BrN2O3S/c1-15-13-18(9-10-19(15)21)22-20(24)17-7-5-16(6-8-17)14-27(25,26)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,24)
InChIKeyGFXYWYLQPNGVMZ-UHFFFAOYSA-N
MW451.39 g/mol
LogP4.33
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide

N-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide (PubChem CID 92671481) has the molecular formula C20H23BrN2O3S and a molecular weight of 451.39 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
PubChem CID92671481
Molecular FormulaC20H23BrN2O3S
Molecular Weight451.39 g/mol
Exact Mass450.06
IUPAC NameN-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)ccc1Br
InChIInChI=1S/C20H23BrN2O3S/c1-15-13-18(9-10-19(15)21)22-20(24)17-7-5-16(6-8-17)14-27(25,26)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,24)
InChIKeyGFXYWYLQPNGVMZ-UHFFFAOYSA-N
XLogP4.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 46763734
N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46778377
N-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46763294
N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46764677
N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393222
N-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46770290
N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2382518
2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)acetamide
CID 17486617
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92646444
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 99957022
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43915882

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide (CID 92671481) is N-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide is Cc1cc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is GFXYWYLQPNGVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3S/c1-15-13-18(9-10-19(15)21)22-20(24)17-7-5-16(6-8-17)14-27(25,26)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,24).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
N-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 451.39 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 92671481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).