N-[(1Z)-3-[(E)-2-(dimethylamino)ethenyl]-2-methyl-1-[(1-methylcyclohexa-2,4-dien-1-yl)methylidene]inden-5-yl]naphthalene-2-sulfonamide

C32H32N2O2S — CID 143454684

IUPACN-[(1Z)-3-[(E)-2-(dimethylamino)ethenyl]-2-methyl-1-[(1-methylcyclohexa-2,4-dien-1-yl)methylidene]inden-5-yl]naphthalene-2-sulfonamide
SMILESCC1=C(/C=C/N(C)C)c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2/C1=C\C1(C)C=CC=CC1
InChIInChI=1S/C32H32N2O2S/c1-23-28(16-19-34(3)4)30-21-26(13-15-29(30)31(23)22-32(2)17-8-5-9-18-32)33-37(35,36)27-14-12-24-10-6-7-11-25(24)20-27/h5-17,19-22,33H,18H2,1-4H3/b19-16+,31-22-
InChIKeyQISAQEIHCOUKJQ-ZJYDNGSPSA-N
MW508.69 g/mol
LogP7.41
Rot. Bonds6

About N-[(1Z)-3-[(E)-2-(dimethylamino)ethenyl]-2-methyl-1-[(1-methylcyclohexa-2,4-dien-1-yl)methylidene]inden-5-yl]naphthalene-2-sulfonamide

N-[(1Z)-3-[(E)-2-(dimethylamino)ethenyl]-2-methyl-1-[(1-methylcyclohexa-2,4-dien-1-yl)methylidene]inden-5-yl]naphthalene-2-sulfonamide (PubChem CID 143454684) has the molecular formula C32H32N2O2S and a molecular weight of 508.69 g/mol. Its IUPAC name is N-[(1Z)-3-[(E)-2-(dimethylamino)ethenyl]-2-methyl-1-[(1-methylcyclohexa-2,4-dien-1-yl)methylidene]inden-5-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1Z)-3-[(E)-2-(dimethylamino)ethenyl]-2-methyl-1-[(1-methylcyclohexa-2,4-dien-1-yl)methylidene]inden-5-yl]naphthalene-2-sulfonamide
PubChem CID143454684
Molecular FormulaC32H32N2O2S
Molecular Weight508.69 g/mol
Exact Mass508.22
IUPAC NameN-[(1Z)-3-[(E)-2-(dimethylamino)ethenyl]-2-methyl-1-[(1-methylcyclohexa-2,4-dien-1-yl)methylidene]inden-5-yl]naphthalene-2-sulfonamide
SMILESCC1=C(/C=C/N(C)C)c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2/C1=C\C1(C)C=CC=CC1
InChIInChI=1S/C32H32N2O2S/c1-23-28(16-19-34(3)4)30-21-26(13-15-29(30)31(23)22-32(2)17-8-5-9-18-32)33-37(35,36)27-14-12-24-10-6-7-11-25(24)20-27/h5-17,19-22,33H,18H2,1-4H3/b19-16+,31-22-
InChIKeyQISAQEIHCOUKJQ-ZJYDNGSPSA-N
XLogP7.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.69
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1Z)-3-[(E)-2-(dimethylamino)ethenyl]-2-methyl-1-[(1-methylcyclohexa-2,4-dien-1-yl)methylidene]inden-5-yl]naphthalene-2-sulfonamide with MolForge

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 2098625
N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846619
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153
1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide
CID 86922484
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
3-bromo-N-naphthalen-2-ylbenzenesulfonamide
CID 7938660
4-methyl-N-[(1S)-1-(1-methylcyclohexa-2,4-dien-1-yl)propyl]-2-(naphthalen-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide
CID 142182448
N-(1H-indol-5-yl)naphthalene-2-sulfonamide
CID 3718023
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
CID 1137620

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-3-[(E)-2-(dimethylamino)ethenyl]-2-methyl-1-[(1-methylcyclohexa-2,4-dien-1-yl)methylidene]inden-5-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(1Z)-3-[(E)-2-(dimethylamino)ethenyl]-2-methyl-1-[(1-methylcyclohexa-2,4-dien-1-yl)methylidene]inden-5-yl]naphthalene-2-sulfonamide (CID 143454684) is N-[(1Z)-3-[(E)-2-(dimethylamino)ethenyl]-2-methyl-1-[(1-methylcyclohexa-2,4-dien-1-yl)methylidene]inden-5-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(1Z)-3-[(E)-2-(dimethylamino)ethenyl]-2-methyl-1-[(1-methylcyclohexa-2,4-dien-1-yl)methylidene]inden-5-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(1Z)-3-[(E)-2-(dimethylamino)ethenyl]-2-methyl-1-[(1-methylcyclohexa-2,4-dien-1-yl)methylidene]inden-5-yl]naphthalene-2-sulfonamide is CC1=C(/C=C/N(C)C)c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2/C1=C\C1(C)C=CC=CC1.
What is the InChIKey of N-[(1Z)-3-[(E)-2-(dimethylamino)ethenyl]-2-methyl-1-[(1-methylcyclohexa-2,4-dien-1-yl)methylidene]inden-5-yl]naphthalene-2-sulfonamide?
The InChIKey is QISAQEIHCOUKJQ-ZJYDNGSPSA-N. The full InChI is InChI=1S/C32H32N2O2S/c1-23-28(16-19-34(3)4)30-21-26(13-15-29(30)31(23)22-32(2)17-8-5-9-18-32)33-37(35,36)27-14-12-24-10-6-7-11-25(24)20-27/h5-17,19-22,33H,18H2,1-4H3/b19-16+,31-22-.
What are the key properties of N-[(1Z)-3-[(E)-2-(dimethylamino)ethenyl]-2-methyl-1-[(1-methylcyclohexa-2,4-dien-1-yl)methylidene]inden-5-yl]naphthalene-2-sulfonamide?
N-[(1Z)-3-[(E)-2-(dimethylamino)ethenyl]-2-methyl-1-[(1-methylcyclohexa-2,4-dien-1-yl)methylidene]inden-5-yl]naphthalene-2-sulfonamide has a molecular weight of 508.69 g/mol, XLogP of 7.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-3-[(E)-2-(dimethylamino)ethenyl]-2-methyl-1-[(1-methylcyclohexa-2,4-dien-1-yl)methylidene]inden-5-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 143454684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).