3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide

C10H14Cl2N2O2S — CID 120824465

IUPAC3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H14Cl2N2O2S/c1-7(13-2)6-14-17(15,16)10-4-8(11)3-9(12)5-10/h3-5,7,13-14H,6H2,1-2H3
InChIKeyMDDWSNCXRWPGBD-UHFFFAOYSA-N
MW297.21 g/mol
LogP1.88
Rot. Bonds5

About 3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide

3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide (PubChem CID 120824465) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide
PubChem CID120824465
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC Name3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H14Cl2N2O2S/c1-7(13-2)6-14-17(15,16)10-4-8(11)3-9(12)5-10/h3-5,7,13-14H,6H2,1-2H3
InChIKeyMDDWSNCXRWPGBD-UHFFFAOYSA-N
XLogP1.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

N-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide
CID 114298130
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
N-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide
CID 63730553
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825383
3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824457
3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide
CID 120713889
2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825163
N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide
CID 120824992
2-amino-5-chloro-N-[2-(methylamino)propyl]pyridine-3-sulfonamide
CID 120824575
4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride
CID 120825045
4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide
CID 120824790

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide (CID 120824465) is 3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide is CNC(C)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide?
The InChIKey is MDDWSNCXRWPGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S/c1-7(13-2)6-14-17(15,16)10-4-8(11)3-9(12)5-10/h3-5,7,13-14H,6H2,1-2H3.
What are the key properties of 3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide?
3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide has a molecular weight of 297.21 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 120824465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).