(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

C18H18F2N2O5S — CID 9189287

IUPAC(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc3c(c2)[C@H](C)C(=O)N3)ccc1OC(F)F
InChIInChI=1S/C18H18F2N2O5S/c1-10-13-8-12(4-5-14(13)22-17(10)23)28(24,25)21-9-11-3-6-15(27-18(19)20)16(7-11)26-2/h3-8,10,18,21H,9H2,1-2H3,(H,22,23)/t10-/m0/s1
InChIKeyOBJCYRNGSZYOHV-JTQLQIEISA-N
MW412.41 g/mol
LogP2.83
Rot. Bonds7

About (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 9189287) has the molecular formula C18H18F2N2O5S and a molecular weight of 412.41 g/mol. Its IUPAC name is (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID9189287
Molecular FormulaC18H18F2N2O5S
Molecular Weight412.41 g/mol
Exact Mass412.09
IUPAC Name(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc3c(c2)[C@H](C)C(=O)N3)ccc1OC(F)F
InChIInChI=1S/C18H18F2N2O5S/c1-10-13-8-12(4-5-14(13)22-17(10)23)28(24,25)21-9-11-3-6-15(27-18(19)20)16(7-11)26-2/h3-8,10,18,21H,9H2,1-2H3,(H,22,23)/t10-/m0/s1
InChIKeyOBJCYRNGSZYOHV-JTQLQIEISA-N
XLogP2.83
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9186876
(3S)-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9031927
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20935435
4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 55564863
(3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide
CID 9186065
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-fluoro-5-methylbenzenesulfonamide
CID 39624112
N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 46335986
2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
CID 66165853
N-methyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]acetamide
CID 9189795
4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide
CID 8817900
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031
(3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9187706

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 9189287) is (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is COc1cc(CNS(=O)(=O)c2ccc3c(c2)[C@H](C)C(=O)N3)ccc1OC(F)F.
What is the InChIKey of (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is OBJCYRNGSZYOHV-JTQLQIEISA-N. The full InChI is InChI=1S/C18H18F2N2O5S/c1-10-13-8-12(4-5-14(13)22-17(10)23)28(24,25)21-9-11-3-6-15(27-18(19)20)16(7-11)26-2/h3-8,10,18,21H,9H2,1-2H3,(H,22,23)/t10-/m0/s1.
What are the key properties of (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 412.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 9189287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).