2,4,6-trimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

C19H24N2O5S2 — CID 6471056

IUPAC2,4,6-trimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)c1
InChIInChI=1S/C19H24N2O5S2/c1-14-11-15(2)19(16(3)12-14)27(22,23)20-17-5-4-6-18(13-17)28(24,25)21-7-9-26-10-8-21/h4-6,11-13,20H,7-10H2,1-3H3
InChIKeyHRFSUTAFCXBGLL-UHFFFAOYSA-N
MW424.54 g/mol
LogP2.43
Rot. Bonds5

About 2,4,6-trimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

2,4,6-trimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 6471056) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
PubChem CID6471056
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC Name2,4,6-trimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)c1
InChIInChI=1S/C19H24N2O5S2/c1-14-11-15(2)19(16(3)12-14)27(22,23)20-17-5-4-6-18(13-17)28(24,25)21-7-9-26-10-8-21/h4-6,11-13,20H,7-10H2,1-3H3
InChIKeyHRFSUTAFCXBGLL-UHFFFAOYSA-N
XLogP2.43
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (CID 6471056) is 2,4,6-trimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is HRFSUTAFCXBGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-14-11-15(2)19(16(3)12-14)27(22,23)20-17-5-4-6-18(13-17)28(24,25)21-7-9-26-10-8-21/h4-6,11-13,20H,7-10H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
2,4,6-trimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 424.54 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 6471056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).