N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3-cyanobenzenesulfonamide

C19H18BrN3O3S — CID 25033309

IUPACN-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)c1
InChIInChI=1S/C19H18BrN3O3S/c20-15-7-8-17(19(24)23-9-2-1-3-10-23)18(12-15)22-27(25,26)16-6-4-5-14(11-16)13-21/h4-8,11-12,22H,1-3,9-10H2
InChIKeyPNOHDFPZQQOFLD-UHFFFAOYSA-N
MW448.34 g/mol
LogP3.75
Rot. Bonds4

About N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3-cyanobenzenesulfonamide

N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3-cyanobenzenesulfonamide (PubChem CID 25033309) has the molecular formula C19H18BrN3O3S and a molecular weight of 448.34 g/mol. Its IUPAC name is N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3-cyanobenzenesulfonamide
PubChem CID25033309
Molecular FormulaC19H18BrN3O3S
Molecular Weight448.34 g/mol
Exact Mass447.03
IUPAC NameN-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)c1
InChIInChI=1S/C19H18BrN3O3S/c20-15-7-8-17(19(24)23-9-2-1-3-10-23)18(12-15)22-27(25,26)16-6-4-5-14(11-16)13-21/h4-8,11-12,22H,1-3,9-10H2
InChIKeyPNOHDFPZQQOFLD-UHFFFAOYSA-N
XLogP3.75
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide
CID 126507636
2-(benzylamino)-4-bromo-N-butyl-5-sulfamoylbenzamide
CID 126508113
4-methyl-N-[2-(1-piperidinylcarbonyl)phenyl]benzenesulfonamide
CID 1049835
4-bromo-N-(4-bromophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1039736
N-(4-bromophenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108581
N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2,6-difluorobenzenesulfonamide
CID 24755148
4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide
CID 1110928
N-(3-bromophenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1303094
N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 24981898
N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-4-methyl-3-nitrobenzenesulfonamide
CID 44445282
4-fluoro-N-[2-(piperidin-1-ylcarbonyl)phenyl]benzenesulfonamide
CID 2347525
2-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 4200083

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3-cyanobenzenesulfonamide?
The IUPAC name of N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3-cyanobenzenesulfonamide (CID 25033309) is N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3-cyanobenzenesulfonamide?
The canonical SMILES for N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3-cyanobenzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)c1.
What is the InChIKey of N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3-cyanobenzenesulfonamide?
The InChIKey is PNOHDFPZQQOFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3S/c20-15-7-8-17(19(24)23-9-2-1-3-10-23)18(12-15)22-27(25,26)16-6-4-5-14(11-16)13-21/h4-8,11-12,22H,1-3,9-10H2.
What are the key properties of N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3-cyanobenzenesulfonamide?
N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3-cyanobenzenesulfonamide has a molecular weight of 448.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3-cyanobenzenesulfonamide is sourced from PubChem (CID 25033309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).