N-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide

C18H18N2O4S — CID 46281837

IUPACN-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3)cc1
InChIInChI=1S/C18H18N2O4S/c1-11(2)17-15-10-14(8-9-16(15)19-18(17)21)25(22,23)20-12-4-6-13(24-3)7-5-12/h4-10,20H,1-3H3,(H,19,21)
InChIKeyQDGWQSABNUTGOD-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.24
Rot. Bonds4

About N-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide

N-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide (PubChem CID 46281837) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
PubChem CID46281837
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3)cc1
InChIInChI=1S/C18H18N2O4S/c1-11(2)17-15-10-14(8-9-16(15)19-18(17)21)25(22,23)20-12-4-6-13(24-3)7-5-12/h4-10,20H,1-3H3,(H,19,21)
InChIKeyQDGWQSABNUTGOD-UHFFFAOYSA-N
XLogP3.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 46281899
2-fluoro-N-methyl-4-[(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)sulfonylamino]benzamide
CID 176511184
N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide
CID 1244571
N-(4-fluoro-2-methylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 46281916
N-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 50760174
2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide
CID 46281903
N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820442
2-oxo-N-[4-(trifluoromethyl)phenyl]-3-[(2,4,6-trimethoxyphenyl)methylidene]-1H-indole-5-sulfonamide
CID 57127499
4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110405960
4-methoxy-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide
CID 16826883
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
3-[bis(methylsulfanyl)methylidene]-5-methoxy-1H-indol-2-one
CID 86173525

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide (CID 46281837) is N-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide?
The InChIKey is QDGWQSABNUTGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-11(2)17-15-10-14(8-9-16(15)19-18(17)21)25(22,23)20-12-4-6-13(24-3)7-5-12/h4-10,20H,1-3H3,(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide?
N-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide has a molecular weight of 358.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide is sourced from PubChem (CID 46281837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).