2-fluoro-N-methyl-4-[(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)sulfonylamino]benzamide

C19H18FN3O4S — CID 176511184

IUPAC2-fluoro-N-methyl-4-[(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)sulfonylamino]benzamide
SMILESCNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3)cc1F
InChIInChI=1S/C19H18FN3O4S/c1-10(2)17-14-9-12(5-7-16(14)22-19(17)25)28(26,27)23-11-4-6-13(15(20)8-11)18(24)21-3/h4-9,23H,1-3H3,(H,21,24)(H,22,25)
InChIKeyBERDNRBEDFRUKS-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.73
Rot. Bonds4

About 2-fluoro-N-methyl-4-[(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)sulfonylamino]benzamide

2-fluoro-N-methyl-4-[(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)sulfonylamino]benzamide (PubChem CID 176511184) has the molecular formula C19H18FN3O4S and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-[(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-[(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)sulfonylamino]benzamide
PubChem CID176511184
Molecular FormulaC19H18FN3O4S
Molecular Weight403.44 g/mol
Exact Mass403.10
IUPAC Name2-fluoro-N-methyl-4-[(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)sulfonylamino]benzamide
SMILESCNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3)cc1F
InChIInChI=1S/C19H18FN3O4S/c1-10(2)17-14-9-12(5-7-16(14)22-19(17)25)28(26,27)23-11-4-6-13(15(20)8-11)18(24)21-3/h4-9,23H,1-3H3,(H,21,24)(H,22,25)
InChIKeyBERDNRBEDFRUKS-UHFFFAOYSA-N
XLogP2.73
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-methyl-4-[(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)sulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 46281837
N-(3-ethylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 46281899
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
4-[(3,4-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25335198
N,N-dibutyl-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 46281844
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 51163000
N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanecarboxamide
CID 162658656
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide
CID 24636502
2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide
CID 55990230

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-[(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)sulfonylamino]benzamide?
The IUPAC name of 2-fluoro-N-methyl-4-[(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)sulfonylamino]benzamide (CID 176511184) is 2-fluoro-N-methyl-4-[(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-4-[(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)sulfonylamino]benzamide?
The canonical SMILES for 2-fluoro-N-methyl-4-[(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)sulfonylamino]benzamide is CNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3)cc1F.
What is the InChIKey of 2-fluoro-N-methyl-4-[(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)sulfonylamino]benzamide?
The InChIKey is BERDNRBEDFRUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4S/c1-10(2)17-14-9-12(5-7-16(14)22-19(17)25)28(26,27)23-11-4-6-13(15(20)8-11)18(24)21-3/h4-9,23H,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 2-fluoro-N-methyl-4-[(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)sulfonylamino]benzamide?
2-fluoro-N-methyl-4-[(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)sulfonylamino]benzamide has a molecular weight of 403.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-[(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 176511184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).