(2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide

C19H19FN2O3S — CID 92671105

IUPAC(2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
SMILESC[C@H]1Cc2cc(C(=O)NC3CC3)ccc2N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3S/c1-12-10-14-11-13(19(23)21-16-5-6-16)2-9-18(14)22(12)26(24,25)17-7-3-15(20)4-8-17/h2-4,7-9,11-12,16H,5-6,10H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyINPJZKRLENFPGB-LBPRGKRZSA-N
MW374.44 g/mol
LogP2.86
Rot. Bonds4

About (2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide

(2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide (PubChem CID 92671105) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
PubChem CID92671105
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Name(2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
SMILESC[C@H]1Cc2cc(C(=O)NC3CC3)ccc2N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3S/c1-12-10-14-11-13(19(23)21-16-5-6-16)2-9-18(14)22(12)26(24,25)17-7-3-15(20)4-8-17/h2-4,7-9,11-12,16H,5-6,10H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyINPJZKRLENFPGB-LBPRGKRZSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671162
(2S)-N-ethyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671088
(2R)-N-ethyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671089
(2R)-N-cyclopropyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210140
N-cyclopropyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 109058375
(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 93156133
(2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671274
(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide
CID 92671117
(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide
CID 92671126
(2R)-N-(3-bromophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671170
(2R)-N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671140
(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide
CID 92671284

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide (CID 92671105) is (2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide is C[C@H]1Cc2cc(C(=O)NC3CC3)ccc2N1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is INPJZKRLENFPGB-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-12-10-14-11-13(19(23)21-16-5-6-16)2-9-18(14)22(12)26(24,25)17-7-3-15(20)4-8-17/h2-4,7-9,11-12,16H,5-6,10H2,1H3,(H,21,23)/t12-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
(2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 92671105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).