2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-prop-2-enylbenzenesulfonamide

C16H14Cl3NO2S — CID 100507739

IUPAC2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl3NO2S/c1-3-8-20(15-7-5-12(17)9-11(15)2)23(21,22)16-10-13(18)4-6-14(16)19/h3-7,9-10H,1,8H2,2H3
InChIKeyMLPXLBCTYIDPEE-UHFFFAOYSA-N
MW390.72 g/mol
LogP5.34
Rot. Bonds5

About 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-prop-2-enylbenzenesulfonamide

2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-prop-2-enylbenzenesulfonamide (PubChem CID 100507739) has the molecular formula C16H14Cl3NO2S and a molecular weight of 390.72 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-prop-2-enylbenzenesulfonamide
PubChem CID100507739
Molecular FormulaC16H14Cl3NO2S
Molecular Weight390.72 g/mol
Exact Mass388.98
IUPAC Name2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl3NO2S/c1-3-8-20(15-7-5-12(17)9-11(15)2)23(21,22)16-10-13(18)4-6-14(16)19/h3-7,9-10H,1,8H2,2H3
InChIKeyMLPXLBCTYIDPEE-UHFFFAOYSA-N
XLogP5.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.72
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-prop-2-enylbenzenesulfonamide (CID 100507739) is 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-prop-2-enylbenzenesulfonamide is C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-prop-2-enylbenzenesulfonamide?
The InChIKey is MLPXLBCTYIDPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO2S/c1-3-8-20(15-7-5-12(17)9-11(15)2)23(21,22)16-10-13(18)4-6-14(16)19/h3-7,9-10H,1,8H2,2H3.
What are the key properties of 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-prop-2-enylbenzenesulfonamide?
2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-prop-2-enylbenzenesulfonamide has a molecular weight of 390.72 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 100507739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).