N-(4-bromophenyl)-4-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]piperidine-1-carboxamide

C26H26BrClN4O4S — CID 166352036

IUPACN-(4-bromophenyl)-4-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]piperidine-1-carboxamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C26H26BrClN4O4S/c1-31(23-6-3-5-20(28)17-23)37(35,36)24-7-2-4-18(16-24)25(33)29-22-12-14-32(15-13-22)26(34)30-21-10-8-19(27)9-11-21/h2-11,16-17,22H,12-15H2,1H3,(H,29,33)(H,30,34)
InChIKeyQNWPWOOSZXXQFV-UHFFFAOYSA-N
MW605.94 g/mol
LogP5.35
Rot. Bonds6

About N-(4-bromophenyl)-4-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]piperidine-1-carboxamide

N-(4-bromophenyl)-4-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]piperidine-1-carboxamide (PubChem CID 166352036) has the molecular formula C26H26BrClN4O4S and a molecular weight of 605.94 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]piperidine-1-carboxamide
PubChem CID166352036
Molecular FormulaC26H26BrClN4O4S
Molecular Weight605.94 g/mol
Exact Mass604.05
IUPAC NameN-(4-bromophenyl)-4-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]piperidine-1-carboxamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C26H26BrClN4O4S/c1-31(23-6-3-5-20(28)17-23)37(35,36)24-7-2-4-18(16-24)25(33)29-22-12-14-32(15-13-22)26(34)30-21-10-8-19(27)9-11-21/h2-11,16-17,22H,12-15H2,1H3,(H,29,33)(H,30,34)
InChIKeyQNWPWOOSZXXQFV-UHFFFAOYSA-N
XLogP5.35
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.94
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)-methylsulfamoyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 46553641
4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 44754288
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46680640
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 55699978
[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 42977769
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 16559774
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-hydroxyethyl)benzamide
CID 78783671
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxyethyl)benzamide
CID 27659280
3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide
CID 55784053
3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 2345454
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide
CID 119505867
N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119522322

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]piperidine-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]piperidine-1-carboxamide (CID 166352036) is N-(4-bromophenyl)-4-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]piperidine-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]piperidine-1-carboxamide is CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)c1.
What is the InChIKey of N-(4-bromophenyl)-4-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]piperidine-1-carboxamide?
The InChIKey is QNWPWOOSZXXQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrClN4O4S/c1-31(23-6-3-5-20(28)17-23)37(35,36)24-7-2-4-18(16-24)25(33)29-22-12-14-32(15-13-22)26(34)30-21-10-8-19(27)9-11-21/h2-11,16-17,22H,12-15H2,1H3,(H,29,33)(H,30,34).
What are the key properties of N-(4-bromophenyl)-4-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]piperidine-1-carboxamide?
N-(4-bromophenyl)-4-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]piperidine-1-carboxamide has a molecular weight of 605.94 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 166352036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).