(E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide

C24H17ClF2N2O4S — CID 46885504

IUPAC(E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide
SMILESO=C(/C=C/c1cccc2c1N(Cc1ccc(F)c(F)c1)C(=O)C2)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C24H17ClF2N2O4S/c25-18-5-2-6-19(13-18)34(32,33)28-22(30)10-8-16-3-1-4-17-12-23(31)29(24(16)17)14-15-7-9-20(26)21(27)11-15/h1-11,13H,12,14H2,(H,28,30)/b10-8+
InChIKeyHLGCQPYCPQIDGE-CSKARUKUSA-N
MW502.93 g/mol
LogP4.23
Rot. Bonds6

About (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide

(E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide (PubChem CID 46885504) has the molecular formula C24H17ClF2N2O4S and a molecular weight of 502.93 g/mol. Its IUPAC name is (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide
PubChem CID46885504
Molecular FormulaC24H17ClF2N2O4S
Molecular Weight502.93 g/mol
Exact Mass502.06
IUPAC Name(E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide
SMILESO=C(/C=C/c1cccc2c1N(Cc1ccc(F)c(F)c1)C(=O)C2)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C24H17ClF2N2O4S/c25-18-5-2-6-19(13-18)34(32,33)28-22(30)10-8-16-3-1-4-17-12-23(31)29(24(16)17)14-15-7-9-20(26)21(27)11-15/h1-11,13H,12,14H2,(H,28,30)/b10-8+
InChIKeyHLGCQPYCPQIDGE-CSKARUKUSA-N
XLogP4.23
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.93
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)prop-2-enamide
CID 71894493
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide
CID 55609087
(E)-3-[1-[(2,3-dichlorophenyl)methyl]-3a-methyl-2-oxo-3,4,5,6-tetrahydroindol-7-yl]-N-(3,4-difluorophenyl)sulfonylprop-2-enamide
CID 44571355
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665
N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide
CID 47269831
(3-chlorophenyl)sulfonylurea
CID 117060605
(E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide
CID 55362067
N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(2-fluorophenyl)prop-2-enamide
CID 91942392
(E)-3-[4-(3-chloro-4-fluorophenoxy)-1-methylindol-3-yl]-N-(3,4-difluorophenyl)sulfonylprop-2-enamide
CID 44565193
(E)-3-[5-[(2,4-dichlorophenyl)methyl]-2-fluoro-6,7,8,9,10,11-hexahydrocycloocta[b]indol-4-yl]-N-(4-fluorophenyl)sulfonylprop-2-enamide
CID 172740852
(E)-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-3-(5-fluoro-3-pyridinyl)prop-2-enamide
CID 86891775
N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide
CID 16644480

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide?
The IUPAC name of (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide (CID 46885504) is (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide is O=C(/C=C/c1cccc2c1N(Cc1ccc(F)c(F)c1)C(=O)C2)NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide?
The InChIKey is HLGCQPYCPQIDGE-CSKARUKUSA-N. The full InChI is InChI=1S/C24H17ClF2N2O4S/c25-18-5-2-6-19(13-18)34(32,33)28-22(30)10-8-16-3-1-4-17-12-23(31)29(24(16)17)14-15-7-9-20(26)21(27)11-15/h1-11,13H,12,14H2,(H,28,30)/b10-8+.
What are the key properties of (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide?
(E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide has a molecular weight of 502.93 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chlorophenyl)sulfonyl-3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3H-indol-7-yl]prop-2-enamide is sourced from PubChem (CID 46885504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).