2,5-dichloro-N-[3-(dimethylamino)-2-methylpropyl]benzenesulfonamide

C12H18Cl2N2O2S — CID 2953957

IUPAC2,5-dichloro-N-[3-(dimethylamino)-2-methylpropyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cc(Cl)ccc1Cl)CN(C)C
InChIInChI=1S/C12H18Cl2N2O2S/c1-9(8-16(2)3)7-15-19(17,18)12-6-10(13)4-5-11(12)14/h4-6,9,15H,7-8H2,1-3H3
InChIKeyNSDQYJARZJIOBI-UHFFFAOYSA-N
MW325.26 g/mol
LogP2.47
Rot. Bonds6

About 2,5-dichloro-N-[3-(dimethylamino)-2-methylpropyl]benzenesulfonamide

2,5-dichloro-N-[3-(dimethylamino)-2-methylpropyl]benzenesulfonamide (PubChem CID 2953957) has the molecular formula C12H18Cl2N2O2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(dimethylamino)-2-methylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(dimethylamino)-2-methylpropyl]benzenesulfonamide
PubChem CID2953957
Molecular FormulaC12H18Cl2N2O2S
Molecular Weight325.26 g/mol
Exact Mass324.05
IUPAC Name2,5-dichloro-N-[3-(dimethylamino)-2-methylpropyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cc(Cl)ccc1Cl)CN(C)C
InChIInChI=1S/C12H18Cl2N2O2S/c1-9(8-16(2)3)7-15-19(17,18)12-6-10(13)4-5-11(12)14/h4-6,9,15H,7-8H2,1-3H3
InChIKeyNSDQYJARZJIOBI-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(dimethylamino)-2-methylpropyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-(dimethylamino)-2-methylpropyl]benzenesulfonamide (CID 2953957) is 2,5-dichloro-N-[3-(dimethylamino)-2-methylpropyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(dimethylamino)-2-methylpropyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-(dimethylamino)-2-methylpropyl]benzenesulfonamide is CC(CNS(=O)(=O)c1cc(Cl)ccc1Cl)CN(C)C.
What is the InChIKey of 2,5-dichloro-N-[3-(dimethylamino)-2-methylpropyl]benzenesulfonamide?
The InChIKey is NSDQYJARZJIOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O2S/c1-9(8-16(2)3)7-15-19(17,18)12-6-10(13)4-5-11(12)14/h4-6,9,15H,7-8H2,1-3H3.
What are the key properties of 2,5-dichloro-N-[3-(dimethylamino)-2-methylpropyl]benzenesulfonamide?
2,5-dichloro-N-[3-(dimethylamino)-2-methylpropyl]benzenesulfonamide has a molecular weight of 325.26 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(dimethylamino)-2-methylpropyl]benzenesulfonamide is sourced from PubChem (CID 2953957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).