2,4-dichloro-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzenesulfonamide

C12H18Cl2N2O2S — CID 23880213

IUPAC2,4-dichloro-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCN(C)C)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2O2S/c1-9-7-12(11(14)8-10(9)13)19(17,18)16(4)6-5-15(2)3/h7-8H,5-6H2,1-4H3
InChIKeyZDNWCOIFDMTERV-UHFFFAOYSA-N
MW325.26 g/mol
LogP2.48
Rot. Bonds5

About 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzenesulfonamide

2,4-dichloro-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzenesulfonamide (PubChem CID 23880213) has the molecular formula C12H18Cl2N2O2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzenesulfonamide
PubChem CID23880213
Molecular FormulaC12H18Cl2N2O2S
Molecular Weight325.26 g/mol
Exact Mass324.05
IUPAC Name2,4-dichloro-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCN(C)C)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2O2S/c1-9-7-12(11(14)8-10(9)13)19(17,18)16(4)6-5-15(2)3/h7-8H,5-6H2,1-4H3
InChIKeyZDNWCOIFDMTERV-UHFFFAOYSA-N
XLogP2.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700364
N-butyl-2,4-dichloro-5-methyl-N-phenylbenzenesulfonamide
CID 3856862
2,4-dichloro-5-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 3739350
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700203
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide
CID 22771494
3-[(2,4-dichloro-5-methylphenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
CID 11591581
4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide
CID 22204120
5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 55226750
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
CID 107328017
3-bromo-5-[2-(dimethylamino)ethyl-methylsulfamoyl]-4-methylbenzoic acid
CID 81479863
1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene
CID 19736981
2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide
CID 55226364

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzenesulfonamide (CID 23880213) is 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)CCN(C)C)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzenesulfonamide?
The InChIKey is ZDNWCOIFDMTERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O2S/c1-9-7-12(11(14)8-10(9)13)19(17,18)16(4)6-5-15(2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzenesulfonamide?
2,4-dichloro-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzenesulfonamide has a molecular weight of 325.26 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 23880213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).