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

C17H18F2N2O4S — CID 17414801

IUPAC1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCOc1cc(CN2CCc3cc(S(N)(=O)=O)ccc32)ccc1OC(F)F
InChIInChI=1S/C17H18F2N2O4S/c1-24-16-8-11(2-5-15(16)25-17(18)19)10-21-7-6-12-9-13(26(20,22)23)3-4-14(12)21/h2-5,8-9,17H,6-7,10H2,1H3,(H2,20,22,23)
InChIKeyVXWZFJHDIOQDGX-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.51
Rot. Bonds6

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

1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 17414801) has the molecular formula C17H18F2N2O4S and a molecular weight of 384.40 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID17414801
Molecular FormulaC17H18F2N2O4S
Molecular Weight384.40 g/mol
Exact Mass384.10
IUPAC Name1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCOc1cc(CN2CCc3cc(S(N)(=O)=O)ccc32)ccc1OC(F)F
InChIInChI=1S/C17H18F2N2O4S/c1-24-16-8-11(2-5-15(16)25-17(18)19)10-21-7-6-12-9-13(26(20,22)23)3-4-14(12)21/h2-5,8-9,17H,6-7,10H2,1H3,(H2,20,22,23)
InChIKeyVXWZFJHDIOQDGX-UHFFFAOYSA-N
XLogP2.51
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 71943822
1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 34913237
1-[2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55628044
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 46818570
4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylsulfonylbenzenesulfonamide
CID 56578966
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 34913690
1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 17398357
1-[(2,6-dichlorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 36943943
1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide
CID 28917333
1-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 16618560
4-[[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]methyl]benzonitrile
CID 8710918
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 46820900

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dihydroindole-5-sulfonamide (CID 17414801) is 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dihydroindole-5-sulfonamide is COc1cc(CN2CCc3cc(S(N)(=O)=O)ccc32)ccc1OC(F)F.
What is the InChIKey of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is VXWZFJHDIOQDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4S/c1-24-16-8-11(2-5-15(16)25-17(18)19)10-21-7-6-12-9-13(26(20,22)23)3-4-14(12)21/h2-5,8-9,17H,6-7,10H2,1H3,(H2,20,22,23).
What are the key properties of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dihydroindole-5-sulfonamide?
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 384.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 17414801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).