2,4-dichloro-5-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide

C16H17Cl2NO2S — CID 3739350

IUPAC2,4-dichloro-5-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(c2ccccc2)C(C)C)c(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO2S/c1-11(2)19(13-7-5-4-6-8-13)22(20,21)16-9-12(3)14(17)10-15(16)18/h4-11H,1-3H3
InChIKeyVUSRXDDZFIYVGU-UHFFFAOYSA-N
MW358.29 g/mol
LogP4.91
Rot. Bonds4

About 2,4-dichloro-5-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide

2,4-dichloro-5-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 3739350) has the molecular formula C16H17Cl2NO2S and a molecular weight of 358.29 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide
PubChem CID3739350
Molecular FormulaC16H17Cl2NO2S
Molecular Weight358.29 g/mol
Exact Mass357.04
IUPAC Name2,4-dichloro-5-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(c2ccccc2)C(C)C)c(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO2S/c1-11(2)19(13-7-5-4-6-8-13)22(20,21)16-9-12(3)14(17)10-15(16)18/h4-11H,1-3H3
InChIKeyVUSRXDDZFIYVGU-UHFFFAOYSA-N
XLogP4.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide (CID 3739350) is 2,4-dichloro-5-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(c2ccccc2)C(C)C)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is VUSRXDDZFIYVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2S/c1-11(2)19(13-7-5-4-6-8-13)22(20,21)16-9-12(3)14(17)10-15(16)18/h4-11H,1-3H3.
What are the key properties of 2,4-dichloro-5-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide?
2,4-dichloro-5-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 358.29 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 3739350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).