2,5-dichloro-N-cyclohexyl-N-ethyl-4-methoxybenzenesulfonamide

C15H21Cl2NO3S — CID 1290049

IUPAC2,5-dichloro-N-cyclohexyl-N-ethyl-4-methoxybenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl
InChIInChI=1S/C15H21Cl2NO3S/c1-3-18(11-7-5-4-6-8-11)22(19,20)15-10-12(16)14(21-2)9-13(15)17/h9-11H,3-8H2,1-2H3
InChIKeyUREJAAHWHHAOKR-UHFFFAOYSA-N
MW366.31 g/mol
LogP4.35
Rot. Bonds5

About 2,5-dichloro-N-cyclohexyl-N-ethyl-4-methoxybenzenesulfonamide

2,5-dichloro-N-cyclohexyl-N-ethyl-4-methoxybenzenesulfonamide (PubChem CID 1290049) has the molecular formula C15H21Cl2NO3S and a molecular weight of 366.31 g/mol. Its IUPAC name is 2,5-dichloro-N-cyclohexyl-N-ethyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-cyclohexyl-N-ethyl-4-methoxybenzenesulfonamide
PubChem CID1290049
Molecular FormulaC15H21Cl2NO3S
Molecular Weight366.31 g/mol
Exact Mass365.06
IUPAC Name2,5-dichloro-N-cyclohexyl-N-ethyl-4-methoxybenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl
InChIInChI=1S/C15H21Cl2NO3S/c1-3-18(11-7-5-4-6-8-11)22(19,20)15-10-12(16)14(21-2)9-13(15)17/h9-11H,3-8H2,1-2H3
InChIKeyUREJAAHWHHAOKR-UHFFFAOYSA-N
XLogP4.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-cyclohexyl-N-ethyl-4-methoxybenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-cyclohexyl-N-ethyl-4-methoxybenzenesulfonamide (CID 1290049) is 2,5-dichloro-N-cyclohexyl-N-ethyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-cyclohexyl-N-ethyl-4-methoxybenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-cyclohexyl-N-ethyl-4-methoxybenzenesulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl.
What is the InChIKey of 2,5-dichloro-N-cyclohexyl-N-ethyl-4-methoxybenzenesulfonamide?
The InChIKey is UREJAAHWHHAOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO3S/c1-3-18(11-7-5-4-6-8-11)22(19,20)15-10-12(16)14(21-2)9-13(15)17/h9-11H,3-8H2,1-2H3.
What are the key properties of 2,5-dichloro-N-cyclohexyl-N-ethyl-4-methoxybenzenesulfonamide?
2,5-dichloro-N-cyclohexyl-N-ethyl-4-methoxybenzenesulfonamide has a molecular weight of 366.31 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-cyclohexyl-N-ethyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 1290049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).