N-(3-aminopropyl)-5-chloro-2-cyano-N-methylbenzenesulfonamide

C11H14ClN3O2S — CID 113285759

IUPACN-(3-aminopropyl)-5-chloro-2-cyano-N-methylbenzenesulfonamide
SMILESCN(CCCN)S(=O)(=O)c1cc(Cl)ccc1C#N
InChIInChI=1S/C11H14ClN3O2S/c1-15(6-2-5-13)18(16,17)11-7-10(12)4-3-9(11)8-14/h3-4,7H,2,5-6,13H2,1H3
InChIKeyVHXICBWFZZHUAQ-UHFFFAOYSA-N
MW287.77 g/mol
LogP1.18
Rot. Bonds5

About N-(3-aminopropyl)-5-chloro-2-cyano-N-methylbenzenesulfonamide

N-(3-aminopropyl)-5-chloro-2-cyano-N-methylbenzenesulfonamide (PubChem CID 113285759) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-chloro-2-cyano-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-chloro-2-cyano-N-methylbenzenesulfonamide
PubChem CID113285759
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC NameN-(3-aminopropyl)-5-chloro-2-cyano-N-methylbenzenesulfonamide
SMILESCN(CCCN)S(=O)(=O)c1cc(Cl)ccc1C#N
InChIInChI=1S/C11H14ClN3O2S/c1-15(6-2-5-13)18(16,17)11-7-10(12)4-3-9(11)8-14/h3-4,7H,2,5-6,13H2,1H3
InChIKeyVHXICBWFZZHUAQ-UHFFFAOYSA-N
XLogP1.18
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-2-cyanophenyl)sulfonyl-methylamino]butanoic acid
CID 43245320
5-chloro-2-cyano-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387594
5-chloro-2-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64516881
N-(3-aminopropyl)-4-chloro-N-methyl-2-nitrobenzenesulfonamide
CID 115319044
N-(3-aminopropyl)-4-cyano-N,2-dimethylbenzenesulfonamide
CID 103829032
5-chloro-2-cyano-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879174
5-chloro-2-cyanobenzenesulfonamide
CID 43243622
2-[(5-chloro-2-cyanophenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 34035829
N-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide
CID 115319073
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 62686438
N-(azetidin-3-yl)-5-chloro-2-cyano-N-propylbenzenesulfonamide
CID 66214863
N-(azepan-4-yl)-5-chloro-2-cyano-N-methylbenzenesulfonamide
CID 107172940

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-chloro-2-cyano-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-5-chloro-2-cyano-N-methylbenzenesulfonamide (CID 113285759) is N-(3-aminopropyl)-5-chloro-2-cyano-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-5-chloro-2-cyano-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-5-chloro-2-cyano-N-methylbenzenesulfonamide is CN(CCCN)S(=O)(=O)c1cc(Cl)ccc1C#N.
What is the InChIKey of N-(3-aminopropyl)-5-chloro-2-cyano-N-methylbenzenesulfonamide?
The InChIKey is VHXICBWFZZHUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S/c1-15(6-2-5-13)18(16,17)11-7-10(12)4-3-9(11)8-14/h3-4,7H,2,5-6,13H2,1H3.
What are the key properties of N-(3-aminopropyl)-5-chloro-2-cyano-N-methylbenzenesulfonamide?
N-(3-aminopropyl)-5-chloro-2-cyano-N-methylbenzenesulfonamide has a molecular weight of 287.77 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-chloro-2-cyano-N-methylbenzenesulfonamide is sourced from PubChem (CID 113285759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).