2,5-dichloro-N-(2-methylphenyl)-N-propan-2-ylbenzenesulfonamide

C16H17Cl2NO2S — CID 164617931

IUPAC2,5-dichloro-N-(2-methylphenyl)-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccccc1N(C(C)C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H17Cl2NO2S/c1-11(2)19(15-7-5-4-6-12(15)3)22(20,21)16-10-13(17)8-9-14(16)18/h4-11H,1-3H3
InChIKeyAFRRTZYIIWJJAK-UHFFFAOYSA-N
MW358.29 g/mol
LogP4.91
Rot. Bonds4

About 2,5-dichloro-N-(2-methylphenyl)-N-propan-2-ylbenzenesulfonamide

2,5-dichloro-N-(2-methylphenyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 164617931) has the molecular formula C16H17Cl2NO2S and a molecular weight of 358.29 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methylphenyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methylphenyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID164617931
Molecular FormulaC16H17Cl2NO2S
Molecular Weight358.29 g/mol
Exact Mass357.04
IUPAC Name2,5-dichloro-N-(2-methylphenyl)-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccccc1N(C(C)C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H17Cl2NO2S/c1-11(2)19(15-7-5-4-6-12(15)3)22(20,21)16-10-13(17)8-9-14(16)18/h4-11H,1-3H3
InChIKeyAFRRTZYIIWJJAK-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 2,5-dichloro-N-(2-methylphenyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-methylphenyl)-N-propan-2-ylbenzenesulfonamide (CID 164617931) is 2,5-dichloro-N-(2-methylphenyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-methylphenyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-methylphenyl)-N-propan-2-ylbenzenesulfonamide is Cc1ccccc1N(C(C)C)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-methylphenyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is AFRRTZYIIWJJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2S/c1-11(2)19(15-7-5-4-6-12(15)3)22(20,21)16-10-13(17)8-9-14(16)18/h4-11H,1-3H3.
What are the key properties of 2,5-dichloro-N-(2-methylphenyl)-N-propan-2-ylbenzenesulfonamide?
2,5-dichloro-N-(2-methylphenyl)-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 2,5-dichloro-N-(2-methylphenyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 164617931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).