4-[2-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]-N-hydroxybenzenesulfonamide

C26H24N2O6S — CID 21082465

IUPAC4-[2-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]-N-hydroxybenzenesulfonamide
SMILESC=C(C(=O)c1ccc(S(=O)(=O)NO)cc1)c1cc(-c2cc3ccccc3n2C)c(OC)cc1OC
InChIInChI=1S/C26H24N2O6S/c1-16(26(29)17-9-11-19(12-10-17)35(31,32)27-30)20-14-21(25(34-4)15-24(20)33-3)23-13-18-7-5-6-8-22(18)28(23)2/h5-15,27,30H,1H2,2-4H3
InChIKeyBDXCOXUBFMDNNQ-UHFFFAOYSA-N
MW492.55 g/mol
LogP4.43
Rot. Bonds8

About 4-[2-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]-N-hydroxybenzenesulfonamide

4-[2-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]-N-hydroxybenzenesulfonamide (PubChem CID 21082465) has the molecular formula C26H24N2O6S and a molecular weight of 492.55 g/mol. Its IUPAC name is 4-[2-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]-N-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]-N-hydroxybenzenesulfonamide
PubChem CID21082465
Molecular FormulaC26H24N2O6S
Molecular Weight492.55 g/mol
Exact Mass492.14
IUPAC Name4-[2-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]-N-hydroxybenzenesulfonamide
SMILESC=C(C(=O)c1ccc(S(=O)(=O)NO)cc1)c1cc(-c2cc3ccccc3n2C)c(OC)cc1OC
InChIInChI=1S/C26H24N2O6S/c1-16(26(29)17-9-11-19(12-10-17)35(31,32)27-30)20-14-21(25(34-4)15-24(20)33-3)23-13-18-7-5-6-8-22(18)28(23)2/h5-15,27,30H,1H2,2-4H3
InChIKeyBDXCOXUBFMDNNQ-UHFFFAOYSA-N
XLogP4.43
TPSA106.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylpropyl)-4-[2-[5-(1H-indol-2-yl)-2,4-dimethoxyphenyl]prop-2-enoyl]benzenesulfonamide
CID 69489993
4-[(E)-3-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 11421699
4-[(E)-3-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]benzoic acid
CID 10173610
5-(1-acetylindol-2-yl)-2,4-dimethoxybenzoic acid
CID 58857060
N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
CID 86868998
2-methoxy-5-(1-methylindol-2-yl)benzaldehyde
CID 141069508
methyl 4-(3-indol-1-ylpropylsulfamoyl)benzoate
CID 47013165
1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone
CID 126653033
N-(3,4-dimethoxyphenyl)sulfonyl-2-indol-1-ylacetamide
CID 75404791
benzene;1-methyl-2-phenylindole
CID 158316839
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
CID 29130862
4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide
CID 102141754

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]-N-hydroxybenzenesulfonamide?
The IUPAC name of 4-[2-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]-N-hydroxybenzenesulfonamide (CID 21082465) is 4-[2-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]-N-hydroxybenzenesulfonamide.
What is the SMILES notation for 4-[2-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]-N-hydroxybenzenesulfonamide?
The canonical SMILES for 4-[2-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]-N-hydroxybenzenesulfonamide is C=C(C(=O)c1ccc(S(=O)(=O)NO)cc1)c1cc(-c2cc3ccccc3n2C)c(OC)cc1OC.
What is the InChIKey of 4-[2-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]-N-hydroxybenzenesulfonamide?
The InChIKey is BDXCOXUBFMDNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6S/c1-16(26(29)17-9-11-19(12-10-17)35(31,32)27-30)20-14-21(25(34-4)15-24(20)33-3)23-13-18-7-5-6-8-22(18)28(23)2/h5-15,27,30H,1H2,2-4H3.
What are the key properties of 4-[2-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]-N-hydroxybenzenesulfonamide?
4-[2-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]-N-hydroxybenzenesulfonamide has a molecular weight of 492.55 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]-N-hydroxybenzenesulfonamide is sourced from PubChem (CID 21082465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).