molecular hydrogen;1-phenyl-N-(4-propan-2-ylphenyl)methanesulfonamide;4-propan-2-yl-N-(5-prop-1-en-2-yl-2-pyridinyl)benzenesulfonamide

C33H43N3O4S2 — CID 177349056

IUPACmolecular hydrogen;1-phenyl-N-(4-propan-2-ylphenyl)methanesulfonamide;4-propan-2-yl-N-(5-prop-1-en-2-yl-2-pyridinyl)benzenesulfonamide
SMILESC=C(C)c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)nc1.CC(C)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1.[H][H].[H][H]
InChIInChI=1S/C17H20N2O2S.C16H19NO2S.2H2/c1-12(2)14-5-8-16(9-6-14)22(20,21)19-17-10-7-15(11-18-17)13(3)4;1-13(2)15-8-10-16(11-9-15)17-20(18,19)12-14-6-4-3-5-7-14;;/h5-12H,3H2,1-2,4H3,(H,18,19);3-11,13,17H,12H2,1-2H3;2*1H
InChIKeyFIIDTKLITPLTRZ-UHFFFAOYSA-N
MW609.86 g/mol
LogP8.28
Rot. Bonds10

About molecular hydrogen;1-phenyl-N-(4-propan-2-ylphenyl)methanesulfonamide;4-propan-2-yl-N-(5-prop-1-en-2-yl-2-pyridinyl)benzenesulfonamide

molecular hydrogen;1-phenyl-N-(4-propan-2-ylphenyl)methanesulfonamide;4-propan-2-yl-N-(5-prop-1-en-2-yl-2-pyridinyl)benzenesulfonamide (PubChem CID 177349056) has the molecular formula C33H43N3O4S2 and a molecular weight of 609.86 g/mol. Its IUPAC name is molecular hydrogen;1-phenyl-N-(4-propan-2-ylphenyl)methanesulfonamide;4-propan-2-yl-N-(5-prop-1-en-2-yl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Namemolecular hydrogen;1-phenyl-N-(4-propan-2-ylphenyl)methanesulfonamide;4-propan-2-yl-N-(5-prop-1-en-2-yl-2-pyridinyl)benzenesulfonamide
PubChem CID177349056
Molecular FormulaC33H43N3O4S2
Molecular Weight609.86 g/mol
Exact Mass609.27
IUPAC Namemolecular hydrogen;1-phenyl-N-(4-propan-2-ylphenyl)methanesulfonamide;4-propan-2-yl-N-(5-prop-1-en-2-yl-2-pyridinyl)benzenesulfonamide
SMILESC=C(C)c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)nc1.CC(C)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1.[H][H].[H][H]
InChIInChI=1S/C17H20N2O2S.C16H19NO2S.2H2/c1-12(2)14-5-8-16(9-6-14)22(20,21)19-17-10-7-15(11-18-17)13(3)4;1-13(2)15-8-10-16(11-9-15)17-20(18,19)12-14-6-4-3-5-7-14;;/h5-12H,3H2,1-2,4H3,(H,18,19);3-11,13,17H,12H2,1-2H3;2*1H
InChIKeyFIIDTKLITPLTRZ-UHFFFAOYSA-N
XLogP8.28
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.86
LogP ≤ 58.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze molecular hydrogen;1-phenyl-N-(4-propan-2-ylphenyl)methanesulfonamide;4-propan-2-yl-N-(5-prop-1-en-2-yl-2-pyridinyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1-phenyl-N-(4-propan-2-ylphenyl)methanesulfonamide;4-propan-2-yl-N-(5-prop-1-en-2-yl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of molecular hydrogen;1-phenyl-N-(4-propan-2-ylphenyl)methanesulfonamide;4-propan-2-yl-N-(5-prop-1-en-2-yl-2-pyridinyl)benzenesulfonamide (CID 177349056) is molecular hydrogen;1-phenyl-N-(4-propan-2-ylphenyl)methanesulfonamide;4-propan-2-yl-N-(5-prop-1-en-2-yl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for molecular hydrogen;1-phenyl-N-(4-propan-2-ylphenyl)methanesulfonamide;4-propan-2-yl-N-(5-prop-1-en-2-yl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for molecular hydrogen;1-phenyl-N-(4-propan-2-ylphenyl)methanesulfonamide;4-propan-2-yl-N-(5-prop-1-en-2-yl-2-pyridinyl)benzenesulfonamide is C=C(C)c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)nc1.CC(C)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;1-phenyl-N-(4-propan-2-ylphenyl)methanesulfonamide;4-propan-2-yl-N-(5-prop-1-en-2-yl-2-pyridinyl)benzenesulfonamide?
The InChIKey is FIIDTKLITPLTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S.C16H19NO2S.2H2/c1-12(2)14-5-8-16(9-6-14)22(20,21)19-17-10-7-15(11-18-17)13(3)4;1-13(2)15-8-10-16(11-9-15)17-20(18,19)12-14-6-4-3-5-7-14;;/h5-12H,3H2,1-2,4H3,(H,18,19);3-11,13,17H,12H2,1-2H3;2*1H.
What are the key properties of molecular hydrogen;1-phenyl-N-(4-propan-2-ylphenyl)methanesulfonamide;4-propan-2-yl-N-(5-prop-1-en-2-yl-2-pyridinyl)benzenesulfonamide?
molecular hydrogen;1-phenyl-N-(4-propan-2-ylphenyl)methanesulfonamide;4-propan-2-yl-N-(5-prop-1-en-2-yl-2-pyridinyl)benzenesulfonamide has a molecular weight of 609.86 g/mol, XLogP of 8.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1-phenyl-N-(4-propan-2-ylphenyl)methanesulfonamide;4-propan-2-yl-N-(5-prop-1-en-2-yl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 177349056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).