N-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide

C17H17FN2O3S — CID 53160429

IUPACN-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)N(S(C)(=O)=O)CC3)c(F)c1
InChIInChI=1S/C17H17FN2O3S/c1-11-3-6-15(14(18)9-11)19-17(21)13-5-4-12-7-8-20(16(12)10-13)24(2,22)23/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)
InChIKeyVVQRQLNGZLUYOG-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.71
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide

N-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide (PubChem CID 53160429) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
PubChem CID53160429
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC NameN-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)N(S(C)(=O)=O)CC3)c(F)c1
InChIInChI=1S/C17H17FN2O3S/c1-11-3-6-15(14(18)9-11)19-17(21)13-5-4-12-7-8-20(16(12)10-13)24(2,22)23/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)
InChIKeyVVQRQLNGZLUYOG-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160417
N-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160438
1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386232
3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506190
N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160386
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 9061466
N-(3-chloro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085733
4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065
N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 2987467
N-(5-fluoro-2-methylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 7602964
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55727033

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide (CID 53160429) is N-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)N(S(C)(=O)=O)CC3)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide?
The InChIKey is VVQRQLNGZLUYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-11-3-6-15(14(18)9-11)19-17(21)13-5-4-12-7-8-20(16(12)10-13)24(2,22)23/h3-6,9-10H,7-8H2,1-2H3,(H,19,21).
What are the key properties of N-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide?
N-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 53160429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).