2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide

C16H14Cl2N2O3S — CID 41342434

IUPAC2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
SMILESCCN1C(=O)Cc2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc21
InChIInChI=1S/C16H14Cl2N2O3S/c1-2-20-14-6-4-12(7-10(14)8-16(20)21)19-24(22,23)15-9-11(17)3-5-13(15)18/h3-7,9,19H,2,8H2,1H3
InChIKeyORVCORCJQUUSDJ-UHFFFAOYSA-N
MW385.27 g/mol
LogP3.70
Rot. Bonds4

About 2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide

2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide (PubChem CID 41342434) has the molecular formula C16H14Cl2N2O3S and a molecular weight of 385.27 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
PubChem CID41342434
Molecular FormulaC16H14Cl2N2O3S
Molecular Weight385.27 g/mol
Exact Mass384.01
IUPAC Name2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
SMILESCCN1C(=O)Cc2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc21
InChIInChI=1S/C16H14Cl2N2O3S/c1-2-20-14-6-4-12(7-10(14)8-16(20)21)19-24(22,23)15-9-11(17)3-5-13(15)18/h3-7,9,19H,2,8H2,1H3
InChIKeyORVCORCJQUUSDJ-UHFFFAOYSA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-difluorobenzenesulfonamide
CID 20933274
3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
CID 41342459
N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
CID 20933287
3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methoxybenzenesulfonamide
CID 41342461
1-(2-chlorophenyl)-N-(1-ethyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342474
N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide
CID 41342429
N-(1-ethyl-2-oxo-3H-indol-5-yl)thiophene-2-sulfonamide
CID 41342430
N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide
CID 41342440
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide
CID 42388553
5-chloro-2-methoxy-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 30532854
N-(1-ethyl-2-oxo-3H-indol-5-yl)acetamide
CID 20933157

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide (CID 41342434) is 2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide is CCN1C(=O)Cc2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc21.
What is the InChIKey of 2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide?
The InChIKey is ORVCORCJQUUSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3S/c1-2-20-14-6-4-12(7-10(14)8-16(20)21)19-24(22,23)15-9-11(17)3-5-13(15)18/h3-7,9,19H,2,8H2,1H3.
What are the key properties of 2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide?
2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide has a molecular weight of 385.27 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide is sourced from PubChem (CID 41342434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).