2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline

C15H15FN2O2S — CID 82845026

IUPAC2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C15H15FN2O2S/c1-10-8-11-4-2-3-5-15(11)18(10)21(19,20)12-6-7-14(17)13(16)9-12/h2-7,9-10H,8,17H2,1H3
InChIKeyKHEVNXFTRYNBLA-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.55
Rot. Bonds2

About 2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline

2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline (PubChem CID 82845026) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
PubChem CID82845026
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C15H15FN2O2S/c1-10-8-11-4-2-3-5-15(11)18(10)21(19,20)12-6-7-14(17)13(16)9-12/h2-7,9-10H,8,17H2,1H3
InChIKeyKHEVNXFTRYNBLA-UHFFFAOYSA-N
XLogP2.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500012
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7510411
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
CID 2552012
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750553
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile
CID 24694007
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
CID 43452427
6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole
CID 110759759
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline
CID 82845024
N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide
CID 23853086
2-[2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 154836262

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline?
The IUPAC name of 2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline (CID 82845026) is 2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline.
What is the SMILES notation for 2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline?
The canonical SMILES for 2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline is CC1Cc2ccccc2N1S(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline?
The InChIKey is KHEVNXFTRYNBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-10-8-11-4-2-3-5-15(11)18(10)21(19,20)12-6-7-14(17)13(16)9-12/h2-7,9-10H,8,17H2,1H3.
What are the key properties of 2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline?
2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline has a molecular weight of 306.36 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline is sourced from PubChem (CID 82845026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).