1-(difluoromethyl)-4-methoxyindole-3-sulfonamide

C10H10F2N2O3S — CID 83174365

IUPAC1-(difluoromethyl)-4-methoxyindole-3-sulfonamide
SMILESCOc1cccc2c1c(S(N)(=O)=O)cn2C(F)F
InChIInChI=1S/C10H10F2N2O3S/c1-17-7-4-2-3-6-9(7)8(18(13,15)16)5-14(6)10(11)12/h2-5,10H,1H3,(H2,13,15,16)
InChIKeyLFQINJMTDOJHFC-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.69
Rot. Bonds3

About 1-(difluoromethyl)-4-methoxyindole-3-sulfonamide

1-(difluoromethyl)-4-methoxyindole-3-sulfonamide (PubChem CID 83174365) has the molecular formula C10H10F2N2O3S and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-methoxyindole-3-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-4-methoxyindole-3-sulfonamide
PubChem CID83174365
Molecular FormulaC10H10F2N2O3S
Molecular Weight276.26 g/mol
Exact Mass276.04
IUPAC Name1-(difluoromethyl)-4-methoxyindole-3-sulfonamide
SMILESCOc1cccc2c1c(S(N)(=O)=O)cn2C(F)F
InChIInChI=1S/C10H10F2N2O3S/c1-17-7-4-2-3-6-9(7)8(18(13,15)16)5-14(6)10(11)12/h2-5,10H,1H3,(H2,13,15,16)
InChIKeyLFQINJMTDOJHFC-UHFFFAOYSA-N
XLogP1.69
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-(4-methylpentyl)indole-3-sulfonamide
CID 83166305
1-(difluoromethyl)-4-propoxyindole-3-sulfonyl chloride
CID 83162907
3-(4-methoxy-3-sulfamoylindol-1-yl)propanoic acid
CID 83173822
2-fluoro-3-methoxybenzenesulfonamide
CID 82811316
1-(4-methoxy-1-propan-2-ylindol-3-yl)-N-methylethanamine
CID 117195040
2,3-dimethoxybenzenesulfonamide;hydrochloride
CID 142896136
1-(3-fluoropropyl)-4-methoxyindole-3-sulfonyl chloride
CID 83162584
4-methoxy-1-propylindole-3-sulfonyl chloride
CID 83162428
4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 173256042
2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid
CID 115073382
(2,6-dimethoxyphenyl) sulfamate
CID 86254316
2-methoxy-6-(trifluoromethoxy)benzenesulfonamide
CID 125434816

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-methoxyindole-3-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-4-methoxyindole-3-sulfonamide (CID 83174365) is 1-(difluoromethyl)-4-methoxyindole-3-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-4-methoxyindole-3-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-4-methoxyindole-3-sulfonamide is COc1cccc2c1c(S(N)(=O)=O)cn2C(F)F.
What is the InChIKey of 1-(difluoromethyl)-4-methoxyindole-3-sulfonamide?
The InChIKey is LFQINJMTDOJHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O3S/c1-17-7-4-2-3-6-9(7)8(18(13,15)16)5-14(6)10(11)12/h2-5,10H,1H3,(H2,13,15,16).
What are the key properties of 1-(difluoromethyl)-4-methoxyindole-3-sulfonamide?
1-(difluoromethyl)-4-methoxyindole-3-sulfonamide has a molecular weight of 276.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-methoxyindole-3-sulfonamide is sourced from PubChem (CID 83174365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).