2,4-dichloro-N-(2-cyclohexyl-2-hydroxyethyl)-5-methylbenzenesulfonamide

C15H21Cl2NO3S — CID 90498903

IUPAC2,4-dichloro-N-(2-cyclohexyl-2-hydroxyethyl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(O)C2CCCCC2)c(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO3S/c1-10-7-15(13(17)8-12(10)16)22(20,21)18-9-14(19)11-5-3-2-4-6-11/h7-8,11,14,18-19H,2-6,9H2,1H3
InChIKeyYHUMIOTYEHARPO-UHFFFAOYSA-N
MW366.31 g/mol
LogP3.52
Rot. Bonds5

About 2,4-dichloro-N-(2-cyclohexyl-2-hydroxyethyl)-5-methylbenzenesulfonamide

2,4-dichloro-N-(2-cyclohexyl-2-hydroxyethyl)-5-methylbenzenesulfonamide (PubChem CID 90498903) has the molecular formula C15H21Cl2NO3S and a molecular weight of 366.31 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-cyclohexyl-2-hydroxyethyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-cyclohexyl-2-hydroxyethyl)-5-methylbenzenesulfonamide
PubChem CID90498903
Molecular FormulaC15H21Cl2NO3S
Molecular Weight366.31 g/mol
Exact Mass365.06
IUPAC Name2,4-dichloro-N-(2-cyclohexyl-2-hydroxyethyl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(O)C2CCCCC2)c(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO3S/c1-10-7-15(13(17)8-12(10)16)22(20,21)18-9-14(19)11-5-3-2-4-6-11/h7-8,11,14,18-19H,2-6,9H2,1H3
InChIKeyYHUMIOTYEHARPO-UHFFFAOYSA-N
XLogP3.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-cyclohexyl-2-hydroxyethyl)-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(2-cyclohexyl-2-hydroxyethyl)-5-methylbenzenesulfonamide (CID 90498903) is 2,4-dichloro-N-(2-cyclohexyl-2-hydroxyethyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(2-cyclohexyl-2-hydroxyethyl)-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(2-cyclohexyl-2-hydroxyethyl)-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC(O)C2CCCCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-cyclohexyl-2-hydroxyethyl)-5-methylbenzenesulfonamide?
The InChIKey is YHUMIOTYEHARPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO3S/c1-10-7-15(13(17)8-12(10)16)22(20,21)18-9-14(19)11-5-3-2-4-6-11/h7-8,11,14,18-19H,2-6,9H2,1H3.
What are the key properties of 2,4-dichloro-N-(2-cyclohexyl-2-hydroxyethyl)-5-methylbenzenesulfonamide?
2,4-dichloro-N-(2-cyclohexyl-2-hydroxyethyl)-5-methylbenzenesulfonamide has a molecular weight of 366.31 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-cyclohexyl-2-hydroxyethyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 90498903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).