4-bromo-N-(1-cyano-2-naphthalen-1-ylpropyl)benzenesulfonamide

C20H17BrN2O2S — CID 138520535

IUPAC4-bromo-N-(1-cyano-2-naphthalen-1-ylpropyl)benzenesulfonamide
SMILESCC(c1cccc2ccccc12)C(C#N)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C20H17BrN2O2S/c1-14(18-8-4-6-15-5-2-3-7-19(15)18)20(13-22)23-26(24,25)17-11-9-16(21)10-12-17/h2-12,14,20,23H,1H3
InChIKeyZYEGMSATHLBSAX-UHFFFAOYSA-N
MW429.34 g/mol
LogP4.58
Rot. Bonds5

About 4-bromo-N-(1-cyano-2-naphthalen-1-ylpropyl)benzenesulfonamide

4-bromo-N-(1-cyano-2-naphthalen-1-ylpropyl)benzenesulfonamide (PubChem CID 138520535) has the molecular formula C20H17BrN2O2S and a molecular weight of 429.34 g/mol. Its IUPAC name is 4-bromo-N-(1-cyano-2-naphthalen-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1-cyano-2-naphthalen-1-ylpropyl)benzenesulfonamide
PubChem CID138520535
Molecular FormulaC20H17BrN2O2S
Molecular Weight429.34 g/mol
Exact Mass428.02
IUPAC Name4-bromo-N-(1-cyano-2-naphthalen-1-ylpropyl)benzenesulfonamide
SMILESCC(c1cccc2ccccc12)C(C#N)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C20H17BrN2O2S/c1-14(18-8-4-6-15-5-2-3-7-19(15)18)20(13-22)23-26(24,25)17-11-9-16(21)10-12-17/h2-12,14,20,23H,1H3
InChIKeyZYEGMSATHLBSAX-UHFFFAOYSA-N
XLogP4.58
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.34
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonylamino]-3-naphthalen-1-ylbutanoic acid
CID 138520359
N-(1-naphthalen-1-ylethyl)-4-nitrobenzenesulfonamide
CID 55353964
2-(4-methylphenyl)sulfonyl-2-naphthalen-1-ylacetonitrile
CID 10496014
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
4-bromo-N-(1-cyanobutyl)benzenesulfonamide
CID 61123069
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
N-(1-cyanoethyl)naphthalene-1-sulfonamide
CID 115766500
3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(1-naphthalen-1-ylethyl)butanamide
CID 112771331
N-[(4-bromophenyl)-cyanomethyl]-4-methylbenzenesulfonamide
CID 53465731
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 41330687

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-cyano-2-naphthalen-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(1-cyano-2-naphthalen-1-ylpropyl)benzenesulfonamide (CID 138520535) is 4-bromo-N-(1-cyano-2-naphthalen-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1-cyano-2-naphthalen-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1-cyano-2-naphthalen-1-ylpropyl)benzenesulfonamide is CC(c1cccc2ccccc12)C(C#N)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(1-cyano-2-naphthalen-1-ylpropyl)benzenesulfonamide?
The InChIKey is ZYEGMSATHLBSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O2S/c1-14(18-8-4-6-15-5-2-3-7-19(15)18)20(13-22)23-26(24,25)17-11-9-16(21)10-12-17/h2-12,14,20,23H,1H3.
What are the key properties of 4-bromo-N-(1-cyano-2-naphthalen-1-ylpropyl)benzenesulfonamide?
4-bromo-N-(1-cyano-2-naphthalen-1-ylpropyl)benzenesulfonamide has a molecular weight of 429.34 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-cyano-2-naphthalen-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 138520535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).