trans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide

C18H18FN3O3S — CID 97014074

IUPACtrans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide
SMILESNS(=O)(=O)N1CCc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3F)cc21
InChIInChI=1S/C18H18FN3O3S/c19-16-4-2-1-3-13(16)14-10-15(14)18(23)21-12-6-5-11-7-8-22(17(11)9-12)26(20,24)25/h1-6,9,14-15H,7-8,10H2,(H,21,23)(H2,20,24,25)/t14-,15+/m0/s1
InChIKeyBSYFOHDWXYOXRU-LSDHHAIUSA-N
MW375.43 g/mol
LogP2.13
Rot. Bonds4

About trans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide (PubChem CID 97014074) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide
PubChem CID97014074
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC Nametrans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide
SMILESNS(=O)(=O)N1CCc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3F)cc21
InChIInChI=1S/C18H18FN3O3S/c19-16-4-2-1-3-13(16)14-10-15(14)18(23)21-12-6-5-11-7-8-22(17(11)9-12)26(20,24)25/h1-6,9,14-15H,7-8,10H2,(H,21,23)(H2,20,24,25)/t14-,15+/m0/s1
InChIKeyBSYFOHDWXYOXRU-LSDHHAIUSA-N
XLogP2.13
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1R,2R)-2-(3-chlorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide
CID 136582526
2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
CID 60582319
2-(cyclopropylmethoxy)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide
CID 51090603
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 55948579
2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 86955889
2-(benzenesulfonamido)-2-phenyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide
CID 139016612
2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide
CID 60549670
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide
CID 110623537
cis-(1R,2S)-2-(2-fluorophenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropane-1-carboxamide
CID 95343398
2,5-dimethyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)thiophene-3-carboxamide
CID 71888483
cis-(1S,2R)-2-(2-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide
CID 95054873
3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 139003868

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide (CID 97014074) is trans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide is NS(=O)(=O)N1CCc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3F)cc21.
What is the InChIKey of trans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide?
The InChIKey is BSYFOHDWXYOXRU-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c19-16-4-2-1-3-13(16)14-10-15(14)18(23)21-12-6-5-11-7-8-22(17(11)9-12)26(20,24)25/h1-6,9,14-15H,7-8,10H2,(H,21,23)(H2,20,24,25)/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97014074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).