N-[2-(benzenesulfonamido)-4,5-dimethyl-3-prop-2-enylphenyl]benzenesulfonamide

C23H24N2O4S2 — CID 101388218

IUPACN-[2-(benzenesulfonamido)-4,5-dimethyl-3-prop-2-enylphenyl]benzenesulfonamide
SMILESC=CCc1c(C)c(C)cc(NS(=O)(=O)c2ccccc2)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H24N2O4S2/c1-4-11-21-18(3)17(2)16-22(24-30(26,27)19-12-7-5-8-13-19)23(21)25-31(28,29)20-14-9-6-10-15-20/h4-10,12-16,24-25H,1,11H2,2-3H3
InChIKeyQENKBIFRNHTMII-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.63
Rot. Bonds8

About N-[2-(benzenesulfonamido)-4,5-dimethyl-3-prop-2-enylphenyl]benzenesulfonamide

N-[2-(benzenesulfonamido)-4,5-dimethyl-3-prop-2-enylphenyl]benzenesulfonamide (PubChem CID 101388218) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)-4,5-dimethyl-3-prop-2-enylphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)-4,5-dimethyl-3-prop-2-enylphenyl]benzenesulfonamide
PubChem CID101388218
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC NameN-[2-(benzenesulfonamido)-4,5-dimethyl-3-prop-2-enylphenyl]benzenesulfonamide
SMILESC=CCc1c(C)c(C)cc(NS(=O)(=O)c2ccccc2)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H24N2O4S2/c1-4-11-21-18(3)17(2)16-22(24-30(26,27)19-12-7-5-8-13-19)23(21)25-31(28,29)20-14-9-6-10-15-20/h4-10,12-16,24-25H,1,11H2,2-3H3
InChIKeyQENKBIFRNHTMII-UHFFFAOYSA-N
XLogP4.63
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide
CID 518129
N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide
CID 827506
N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide
CID 19431161
N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 3370012
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
4-methyl-N-(2-oxo-5-prop-2-enylchromen-6-yl)benzenesulfonamide
CID 135015154
N-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenesulfonamide
CID 693420
N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide
CID 60640316
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382
N-[2-[1-(2-methylphenyl)ethenyl]phenyl]benzenesulfonamide
CID 170558125
N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide
CID 4677884
N-(3-bromo-4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide
CID 1186102

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)-4,5-dimethyl-3-prop-2-enylphenyl]benzenesulfonamide?
The IUPAC name of N-[2-(benzenesulfonamido)-4,5-dimethyl-3-prop-2-enylphenyl]benzenesulfonamide (CID 101388218) is N-[2-(benzenesulfonamido)-4,5-dimethyl-3-prop-2-enylphenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)-4,5-dimethyl-3-prop-2-enylphenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(benzenesulfonamido)-4,5-dimethyl-3-prop-2-enylphenyl]benzenesulfonamide is C=CCc1c(C)c(C)cc(NS(=O)(=O)c2ccccc2)c1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonamido)-4,5-dimethyl-3-prop-2-enylphenyl]benzenesulfonamide?
The InChIKey is QENKBIFRNHTMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-4-11-21-18(3)17(2)16-22(24-30(26,27)19-12-7-5-8-13-19)23(21)25-31(28,29)20-14-9-6-10-15-20/h4-10,12-16,24-25H,1,11H2,2-3H3.
What are the key properties of N-[2-(benzenesulfonamido)-4,5-dimethyl-3-prop-2-enylphenyl]benzenesulfonamide?
N-[2-(benzenesulfonamido)-4,5-dimethyl-3-prop-2-enylphenyl]benzenesulfonamide has a molecular weight of 456.59 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)-4,5-dimethyl-3-prop-2-enylphenyl]benzenesulfonamide is sourced from PubChem (CID 101388218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).