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

C18H18ClN3O3S — CID 136582526

IUPACtrans-(1R,2R)-2-(3-chlorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide
SMILESNS(=O)(=O)N1CCc2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)cc21
InChIInChI=1S/C18H18ClN3O3S/c19-13-3-1-2-12(8-13)15-10-16(15)18(23)21-14-5-4-11-6-7-22(17(11)9-14)26(20,24)25/h1-5,8-9,15-16H,6-7,10H2,(H,21,23)(H2,20,24,25)/t15-,16+/m0/s1
InChIKeyWDJBWAWQDDIGGH-JKSUJKDBSA-N
MW391.88 g/mol
LogP2.65
Rot. Bonds4

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

trans-(1R,2R)-2-(3-chlorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide (PubChem CID 136582526) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-chlorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-chlorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide
PubChem CID136582526
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC Nametrans-(1R,2R)-2-(3-chlorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide
SMILESNS(=O)(=O)N1CCc2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)cc21
InChIInChI=1S/C18H18ClN3O3S/c19-13-3-1-2-12(8-13)15-10-16(15)18(23)21-14-5-4-11-6-7-22(17(11)9-14)26(20,24)25/h1-5,8-9,15-16H,6-7,10H2,(H,21,23)(H2,20,24,25)/t15-,16+/m0/s1
InChIKeyWDJBWAWQDDIGGH-JKSUJKDBSA-N
XLogP2.65
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide
CID 97014074
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide
CID 110623537
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 99777919
2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide
CID 49195798
2-(cyclopropylmethoxy)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide
CID 51090603
N-(3-acetamido-4-methoxyphenyl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 49159062
7-[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 154840494
(1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 175979811
cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 124885257
cis-(1R,2S)-N-(3-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 96564776
trans-(1S,2S)-2-(3-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)cyclopropane-1-carboxamide
CID 97011127

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-chlorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(3-chlorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide (CID 136582526) is trans-(1R,2R)-2-(3-chlorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(3-chlorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(3-chlorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide is NS(=O)(=O)N1CCc2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)cc21.
What is the InChIKey of trans-(1R,2R)-2-(3-chlorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide?
The InChIKey is WDJBWAWQDDIGGH-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c19-13-3-1-2-12(8-13)15-10-16(15)18(23)21-14-5-4-11-6-7-22(17(11)9-14)26(20,24)25/h1-5,8-9,15-16H,6-7,10H2,(H,21,23)(H2,20,24,25)/t15-,16+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(3-chlorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(3-chlorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide has a molecular weight of 391.88 g/mol, XLogP of 2.65, 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-(3-chlorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 136582526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).