2,4-dichloro-N-(2-methylpropyl)-5-(morpholine-4-carbonyl)benzenesulfonamide

C15H20Cl2N2O4S — CID 2608099

IUPAC2,4-dichloro-N-(2-methylpropyl)-5-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1cc(C(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O4S/c1-10(2)9-18-24(21,22)14-7-11(12(16)8-13(14)17)15(20)19-3-5-23-6-4-19/h7-8,10,18H,3-6,9H2,1-2H3
InChIKeyIMSUNTVENAYSNM-UHFFFAOYSA-N
MW395.31 g/mol
LogP2.40
Rot. Bonds5

About 2,4-dichloro-N-(2-methylpropyl)-5-(morpholine-4-carbonyl)benzenesulfonamide

2,4-dichloro-N-(2-methylpropyl)-5-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 2608099) has the molecular formula C15H20Cl2N2O4S and a molecular weight of 395.31 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-methylpropyl)-5-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-methylpropyl)-5-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID2608099
Molecular FormulaC15H20Cl2N2O4S
Molecular Weight395.31 g/mol
Exact Mass394.05
IUPAC Name2,4-dichloro-N-(2-methylpropyl)-5-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1cc(C(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O4S/c1-10(2)9-18-24(21,22)14-7-11(12(16)8-13(14)17)15(20)19-3-5-23-6-4-19/h7-8,10,18H,3-6,9H2,1-2H3
InChIKeyIMSUNTVENAYSNM-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-methylpropyl)-5-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(2-methylpropyl)-5-(morpholine-4-carbonyl)benzenesulfonamide (CID 2608099) is 2,4-dichloro-N-(2-methylpropyl)-5-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(2-methylpropyl)-5-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(2-methylpropyl)-5-(morpholine-4-carbonyl)benzenesulfonamide is CC(C)CNS(=O)(=O)c1cc(C(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-methylpropyl)-5-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is IMSUNTVENAYSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O4S/c1-10(2)9-18-24(21,22)14-7-11(12(16)8-13(14)17)15(20)19-3-5-23-6-4-19/h7-8,10,18H,3-6,9H2,1-2H3.
What are the key properties of 2,4-dichloro-N-(2-methylpropyl)-5-(morpholine-4-carbonyl)benzenesulfonamide?
2,4-dichloro-N-(2-methylpropyl)-5-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 395.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-methylpropyl)-5-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 2608099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).