2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide

C10H14Cl2N2O2S — CID 43606022

IUPAC2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
SMILESCNCCCNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H14Cl2N2O2S/c1-13-6-3-7-14-17(15,16)10-8(11)4-2-5-9(10)12/h2,4-5,13-14H,3,6-7H2,1H3
InChIKeyQABYWLJJFSDEKW-UHFFFAOYSA-N
MW297.21 g/mol
LogP1.88
Rot. Bonds6

About 2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide

2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide (PubChem CID 43606022) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
PubChem CID43606022
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC Name2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
SMILESCNCCCNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H14Cl2N2O2S/c1-13-6-3-7-14-17(15,16)10-8(11)4-2-5-9(10)12/h2,4-5,13-14H,3,6-7H2,1H3
InChIKeyQABYWLJJFSDEKW-UHFFFAOYSA-N
XLogP1.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 51.88
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

4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605913
2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
CID 120707297
2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333183
N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride
CID 120583800
2-[(2,6-dichlorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 2128469
2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide
CID 90737311
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
2-chloro-N-[2-(methylamino)ethyl]-6-nitrobenzenesulfonamide
CID 119973074
3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid
CID 697936
2-amino-6-chloro-N-octylbenzenesulfonamide
CID 115565998
3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965124
4-[(2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540414

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide (CID 43606022) is 2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide is CNCCCNS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide?
The InChIKey is QABYWLJJFSDEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S/c1-13-6-3-7-14-17(15,16)10-8(11)4-2-5-9(10)12/h2,4-5,13-14H,3,6-7H2,1H3.
What are the key properties of 2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide?
2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide has a molecular weight of 297.21 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 43606022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).