N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide

C9H12Cl2N2O2S — CID 28754074

IUPACN-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide
SMILESNCCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H12Cl2N2O2S/c10-8-3-2-7(6-9(8)11)16(14,15)13-5-1-4-12/h2-3,6,13H,1,4-5,12H2
InChIKeyDHXLTSDIAKIDDL-UHFFFAOYSA-N
MW283.18 g/mol
LogP1.62
Rot. Bonds5

About N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide

N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide (PubChem CID 28754074) has the molecular formula C9H12Cl2N2O2S and a molecular weight of 283.18 g/mol. Its IUPAC name is N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide
PubChem CID28754074
Molecular FormulaC9H12Cl2N2O2S
Molecular Weight283.18 g/mol
Exact Mass282.00
IUPAC NameN-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide
SMILESNCCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H12Cl2N2O2S/c10-8-3-2-7(6-9(8)11)16(14,15)13-5-1-4-12/h2-3,6,13H,1,4-5,12H2
InChIKeyDHXLTSDIAKIDDL-UHFFFAOYSA-N
XLogP1.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride
CID 119960311
N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride
CID 119962113
3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide
CID 87814655
N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide
CID 107323042
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046
3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 110359442
N-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride
CID 119961978
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
CID 65033465
N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide
CID 119962290
N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride
CID 71296961
3,4-dichlorobenzenesulfonohydrazide
CID 2735965

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide (CID 28754074) is N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide is NCCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide?
The InChIKey is DHXLTSDIAKIDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O2S/c10-8-3-2-7(6-9(8)11)16(14,15)13-5-1-4-12/h2-3,6,13H,1,4-5,12H2.
What are the key properties of N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide?
N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide has a molecular weight of 283.18 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 28754074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).