4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]benzenesulfonamide

C22H29N3O4S2 — CID 2914583

IUPAC4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]benzenesulfonamide
SMILESCC(=NS(=O)(=O)c1ccc(C)cc1)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1C(C)C
InChIInChI=1S/C22H29N3O4S2/c1-16(2)22-24(19(5)23-30(26,27)20-10-6-17(3)7-11-20)14-15-25(22)31(28,29)21-12-8-18(4)9-13-21/h6-13,16,22H,14-15H2,1-5H3
InChIKeySEXSBGFPNSOKKX-UHFFFAOYSA-N
MW463.63 g/mol
LogP3.40
Rot. Bonds5

About 4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]benzenesulfonamide

4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]benzenesulfonamide (PubChem CID 2914583) has the molecular formula C22H29N3O4S2 and a molecular weight of 463.63 g/mol. Its IUPAC name is 4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]benzenesulfonamide
PubChem CID2914583
Molecular FormulaC22H29N3O4S2
Molecular Weight463.63 g/mol
Exact Mass463.16
IUPAC Name4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]benzenesulfonamide
SMILESCC(=NS(=O)(=O)c1ccc(C)cc1)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1C(C)C
InChIInChI=1S/C22H29N3O4S2/c1-16(2)22-24(19(5)23-30(26,27)20-10-6-17(3)7-11-20)14-15-25(22)31(28,29)21-12-8-18(4)9-13-21/h6-13,16,22H,14-15H2,1-5H3
InChIKeySEXSBGFPNSOKKX-UHFFFAOYSA-N
XLogP3.40
TPSA87.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]benzenesulfonamide (CID 2914583) is 4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]benzenesulfonamide is CC(=NS(=O)(=O)c1ccc(C)cc1)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1C(C)C.
What is the InChIKey of 4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]benzenesulfonamide?
The InChIKey is SEXSBGFPNSOKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S2/c1-16(2)22-24(19(5)23-30(26,27)20-10-6-17(3)7-11-20)14-15-25(22)31(28,29)21-12-8-18(4)9-13-21/h6-13,16,22H,14-15H2,1-5H3.
What are the key properties of 4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]benzenesulfonamide?
4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]benzenesulfonamide has a molecular weight of 463.63 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]ethylidene]benzenesulfonamide is sourced from PubChem (CID 2914583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).