5-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1H-indole-2-carboxamide

C19H18ClN3O3S — CID 51114529

IUPAC5-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCc2ccccc21)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H18ClN3O3S/c20-15-5-6-16-14(11-15)12-17(22-16)19(24)21-8-10-27(25,26)23-9-7-13-3-1-2-4-18(13)23/h1-6,11-12,22H,7-10H2,(H,21,24)
InChIKeyJHABABOAXYPFEE-UHFFFAOYSA-N
MW403.89 g/mol
LogP2.94
Rot. Bonds5

About 5-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1H-indole-2-carboxamide

5-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 51114529) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is 5-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1H-indole-2-carboxamide
PubChem CID51114529
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name5-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCc2ccccc21)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H18ClN3O3S/c20-15-5-6-16-14(11-15)12-17(22-16)19(24)21-8-10-27(25,26)23-9-7-13-3-1-2-4-18(13)23/h1-6,11-12,22H,7-10H2,(H,21,24)
InChIKeyJHABABOAXYPFEE-UHFFFAOYSA-N
XLogP2.94
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide
CID 55873198
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CID 55662732
N-(2,5-dichlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide
CID 110343140
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
CID 55662696
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 39300753
N-(4-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide
CID 110343101
5-chloro-N-[2-oxo-2-(2-oxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxamide
CID 57187690
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
3-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 55662638
5-(1,3-benzothiazol-2-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]thiophene-2-carboxamide
CID 55662733
1-(2,6-diethylphenyl)-3-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]urea
CID 55696623
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821757

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1H-indole-2-carboxamide (CID 51114529) is 5-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1H-indole-2-carboxamide is O=C(NCCS(=O)(=O)N1CCc2ccccc21)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is JHABABOAXYPFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c20-15-5-6-16-14(11-15)12-17(22-16)19(24)21-8-10-27(25,26)23-9-7-13-3-1-2-4-18(13)23/h1-6,11-12,22H,7-10H2,(H,21,24).
What are the key properties of 5-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1H-indole-2-carboxamide?
5-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 51114529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).