3,4-dichloro-N-(2-cyanoethyl)-N-methylbenzenesulfonamide

C10H10Cl2N2O2S — CID 3674377

IUPAC3,4-dichloro-N-(2-cyanoethyl)-N-methylbenzenesulfonamide
SMILESCN(CCC#N)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2N2O2S/c1-14(6-2-5-13)17(15,16)8-3-4-9(11)10(12)7-8/h3-4,7H,2,6H2,1H3
InChIKeyXRYJYYUGWPOQFG-UHFFFAOYSA-N
MW293.18 g/mol
LogP2.53
Rot. Bonds4

About 3,4-dichloro-N-(2-cyanoethyl)-N-methylbenzenesulfonamide

3,4-dichloro-N-(2-cyanoethyl)-N-methylbenzenesulfonamide (PubChem CID 3674377) has the molecular formula C10H10Cl2N2O2S and a molecular weight of 293.18 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-cyanoethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-cyanoethyl)-N-methylbenzenesulfonamide
PubChem CID3674377
Molecular FormulaC10H10Cl2N2O2S
Molecular Weight293.18 g/mol
Exact Mass291.98
IUPAC Name3,4-dichloro-N-(2-cyanoethyl)-N-methylbenzenesulfonamide
SMILESCN(CCC#N)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2N2O2S/c1-14(6-2-5-13)17(15,16)8-3-4-9(11)10(12)7-8/h3-4,7H,2,6H2,1H3
InChIKeyXRYJYYUGWPOQFG-UHFFFAOYSA-N
XLogP2.53
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.18
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-cyanoethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(2-cyanoethyl)-N-methylbenzenesulfonamide (CID 3674377) is 3,4-dichloro-N-(2-cyanoethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(2-cyanoethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(2-cyanoethyl)-N-methylbenzenesulfonamide is CN(CCC#N)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-cyanoethyl)-N-methylbenzenesulfonamide?
The InChIKey is XRYJYYUGWPOQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2S/c1-14(6-2-5-13)17(15,16)8-3-4-9(11)10(12)7-8/h3-4,7H,2,6H2,1H3.
What are the key properties of 3,4-dichloro-N-(2-cyanoethyl)-N-methylbenzenesulfonamide?
3,4-dichloro-N-(2-cyanoethyl)-N-methylbenzenesulfonamide has a molecular weight of 293.18 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-cyanoethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 3674377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).