2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide

C16H15ClN2O4S — CID 131668410

IUPAC2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
SMILESCCOC1(c2ccc(Cl)c(S(N)(=O)=O)c2)NC(=O)c2ccccc21
InChIInChI=1S/C16H15ClN2O4S/c1-2-23-16(12-6-4-3-5-11(12)15(20)19-16)10-7-8-13(17)14(9-10)24(18,21)22/h3-9H,2H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyXAYIDIRKYMLVTP-UHFFFAOYSA-N
MW366.83 g/mol
LogP1.97
Rot. Bonds4

About 2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide

2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide (PubChem CID 131668410) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is 2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
PubChem CID131668410
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC Name2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
SMILESCCOC1(c2ccc(Cl)c(S(N)(=O)=O)c2)NC(=O)c2ccccc21
InChIInChI=1S/C16H15ClN2O4S/c1-2-23-16(12-6-4-3-5-11(12)15(20)19-16)10-7-8-13(17)14(9-10)24(18,21)22/h3-9H,2H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyXAYIDIRKYMLVTP-UHFFFAOYSA-N
XLogP1.97
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Chlorthalidone
CID 2732
Chlortalidone, (R)-
CID 667689
2-chloro-5-((1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
CID 688424
1-(4-Chlorophenyl)-1-methoxy-3-oxoisoindoline
CID 5222390
Chlorthalidone, tetramethyl
CID 91753798
2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide
CID 154163731
(3R,3'E)-3'-[(4-chlorophenyl)methylidene]spiro[2H-isoindole-3,2'-oxolane]-1-one
CID 166445874
Chlorthalidone tri-methyl derivative
CID 625586
O-Methyl Chlorthalidone
CID 13470561
3-(3-aminoperoxysulfanyl-4-chlorophenyl)-3-hydroxy-2H-isoindol-1-one
CID 20772114
2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide;methoxymethane
CID 23047688
2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)-N-propan-2-ylbenzenesulfonamide
CID 58979735

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide (CID 131668410) is 2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide is CCOC1(c2ccc(Cl)c(S(N)(=O)=O)c2)NC(=O)c2ccccc21.
What is the InChIKey of 2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide?
The InChIKey is XAYIDIRKYMLVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c1-2-23-16(12-6-4-3-5-11(12)15(20)19-16)10-7-8-13(17)14(9-10)24(18,21)22/h3-9H,2H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide?
2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide has a molecular weight of 366.83 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide is sourced from PubChem (CID 131668410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).