N-benzyl-4-bromo-3-piperidin-1-ylsulfonylbenzamide

C19H21BrN2O3S — CID 1127069

IUPACN-benzyl-4-bromo-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccccc1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H21BrN2O3S/c20-17-10-9-16(19(23)21-14-15-7-3-1-4-8-15)13-18(17)26(24,25)22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,21,23)
InChIKeyICVNKBWPQVVXBS-UHFFFAOYSA-N
MW437.36 g/mol
LogP3.55
Rot. Bonds5

About N-benzyl-4-bromo-3-piperidin-1-ylsulfonylbenzamide

N-benzyl-4-bromo-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 1127069) has the molecular formula C19H21BrN2O3S and a molecular weight of 437.36 g/mol. Its IUPAC name is N-benzyl-4-bromo-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-bromo-3-piperidin-1-ylsulfonylbenzamide
PubChem CID1127069
Molecular FormulaC19H21BrN2O3S
Molecular Weight437.36 g/mol
Exact Mass436.05
IUPAC NameN-benzyl-4-bromo-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccccc1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H21BrN2O3S/c20-17-10-9-16(19(23)21-14-15-7-3-1-4-8-15)13-18(17)26(24,25)22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,21,23)
InChIKeyICVNKBWPQVVXBS-UHFFFAOYSA-N
XLogP3.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076675
N-benzyl-4-bromo-3-(morpholinosulfonyl)benzamide
CID 1076739
2-benzylsulfanyl-4-bromo-N-butyl-5-sulfamoylbenzamide
CID 126508116
4-bromo-N-butyl-2-phenylsulfanyl-5-sulfamoylbenzamide
CID 126508267
4-bromo-N-butyl-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide
CID 126508271
2-(benzenesulfonyl)-4-bromo-N-butyl-5-sulfamoylbenzamide
CID 126508716
2,4-dibromo-N-butyl-5-sulfamoylbenzamide
CID 126509349
N-benzyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076673
4-[4-(3-Bromobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 156017797
N-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 2122704
4-bromo-N-(4-bromophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1039736
N-(2-phenylethyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1262340

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-bromo-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-benzyl-4-bromo-3-piperidin-1-ylsulfonylbenzamide (CID 1127069) is N-benzyl-4-bromo-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-4-bromo-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-benzyl-4-bromo-3-piperidin-1-ylsulfonylbenzamide is O=C(NCc1ccccc1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-benzyl-4-bromo-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ICVNKBWPQVVXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3S/c20-17-10-9-16(19(23)21-14-15-7-3-1-4-8-15)13-18(17)26(24,25)22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,21,23).
What are the key properties of N-benzyl-4-bromo-3-piperidin-1-ylsulfonylbenzamide?
N-benzyl-4-bromo-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 437.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-bromo-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1127069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).