N-benzyl-4-methyl-N-(4-methylidene-1H-isochromen-3-yl)benzenesulfonamide

C24H23NO3S — CID 11711172

IUPACN-benzyl-4-methyl-N-(4-methylidene-1H-isochromen-3-yl)benzenesulfonamide
SMILESC=C1c2ccccc2COC1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H23NO3S/c1-18-12-14-22(15-13-18)29(26,27)25(16-20-8-4-3-5-9-20)24-19(2)23-11-7-6-10-21(23)17-28-24/h3-15,24H,2,16-17H2,1H3
InChIKeyCAKPDULTGRSOEJ-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.76
Rot. Bonds5

About N-benzyl-4-methyl-N-(4-methylidene-1H-isochromen-3-yl)benzenesulfonamide

N-benzyl-4-methyl-N-(4-methylidene-1H-isochromen-3-yl)benzenesulfonamide (PubChem CID 11711172) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-(4-methylidene-1H-isochromen-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-(4-methylidene-1H-isochromen-3-yl)benzenesulfonamide
PubChem CID11711172
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC NameN-benzyl-4-methyl-N-(4-methylidene-1H-isochromen-3-yl)benzenesulfonamide
SMILESC=C1c2ccccc2COC1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H23NO3S/c1-18-12-14-22(15-13-18)29(26,27)25(16-20-8-4-3-5-9-20)24-19(2)23-11-7-6-10-21(23)17-28-24/h3-15,24H,2,16-17H2,1H3
InChIKeyCAKPDULTGRSOEJ-UHFFFAOYSA-N
XLogP4.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-benzyl-4-methyl-N-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]benzenesulfonamide
CID 11133030
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 23998488
N-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide
CID 23726775
N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 56647729
N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 10205113
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
3-[3-[benzyl-(4-methylphenyl)sulfonylamino]azetidin-1-yl]-2-pyrrol-1-ylbenzoic acid
CID 168763723
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 9189457
N-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide
CID 72966793
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-(4-methylidene-1H-isochromen-3-yl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-N-(4-methylidene-1H-isochromen-3-yl)benzenesulfonamide (CID 11711172) is N-benzyl-4-methyl-N-(4-methylidene-1H-isochromen-3-yl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-N-(4-methylidene-1H-isochromen-3-yl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-N-(4-methylidene-1H-isochromen-3-yl)benzenesulfonamide is C=C1c2ccccc2COC1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-(4-methylidene-1H-isochromen-3-yl)benzenesulfonamide?
The InChIKey is CAKPDULTGRSOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-18-12-14-22(15-13-18)29(26,27)25(16-20-8-4-3-5-9-20)24-19(2)23-11-7-6-10-21(23)17-28-24/h3-15,24H,2,16-17H2,1H3.
What are the key properties of N-benzyl-4-methyl-N-(4-methylidene-1H-isochromen-3-yl)benzenesulfonamide?
N-benzyl-4-methyl-N-(4-methylidene-1H-isochromen-3-yl)benzenesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-(4-methylidene-1H-isochromen-3-yl)benzenesulfonamide is sourced from PubChem (CID 11711172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).