N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide

C10H14Cl2N2O2S — CID 98781428

IUPACN-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
SMILESCN(CCCN)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O2S/c1-14(6-2-5-13)17(15,16)8-3-4-9(11)10(12)7-8/h3-4,7H,2,5-6,13H2,1H3
InChIKeyIWQRUTMWQFHZLI-UHFFFAOYSA-N
MW297.21 g/mol
LogP1.96
Rot. Bonds5

About N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide

N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide (PubChem CID 98781428) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
PubChem CID98781428
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC NameN-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
SMILESCN(CCCN)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O2S/c1-14(6-2-5-13)17(15,16)8-3-4-9(11)10(12)7-8/h3-4,7H,2,5-6,13H2,1H3
InChIKeyIWQRUTMWQFHZLI-UHFFFAOYSA-N
XLogP1.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide
CID 115319094
N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 62685889
N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide
CID 103829034
N-(2-aminoethyl)-4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 62687721
4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 115319076
N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 115319055
3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387697
N-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089181
N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 115319032
3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43345894
N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide
CID 64625358
N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide
CID 110758150

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide (CID 98781428) is N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide is CN(CCCN)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide?
The InChIKey is IWQRUTMWQFHZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S/c1-14(6-2-5-13)17(15,16)8-3-4-9(11)10(12)7-8/h3-4,7H,2,5-6,13H2,1H3.
What are the key properties of N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide?
N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide has a molecular weight of 297.21 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 98781428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).