1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide

C15H10Cl2N2O4S — CID 166625316

IUPAC1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O4S/c16-11-3-1-8(5-12(11)17)7-19-13-4-2-9(24(18,22)23)6-10(13)14(20)15(19)21/h1-6H,7H2,(H2,18,22,23)
InChIKeyHDUIGRFXWUQQGW-UHFFFAOYSA-N
MW385.23 g/mol
LogP2.37
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide

1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide (PubChem CID 166625316) has the molecular formula C15H10Cl2N2O4S and a molecular weight of 385.23 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
PubChem CID166625316
Molecular FormulaC15H10Cl2N2O4S
Molecular Weight385.23 g/mol
Exact Mass383.97
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O4S/c16-11-3-1-8(5-12(11)17)7-19-13-4-2-9(24(18,22)23)6-10(13)14(20)15(19)21/h1-6H,7H2,(H2,18,22,23)
InChIKeyHDUIGRFXWUQQGW-UHFFFAOYSA-N
XLogP2.37
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione
CID 1901244
4-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 73350410
2-Chloro-5-[2-(2,3-dihydroindol-1-yl)acetyl]benzenesulfonamide
CID 126509556
Isatin sulfonamide, 16a
CID 42618287
1-[2-(Benzenesulfonyl)ethyl]-5-chloroindole-2,3-dione
CID 8071373
2,3-Dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-sulfonamide
CID 129218291
1-[(2,6-Difluorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
CID 129218439
1-[(4-Chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
CID 129218459
2,3-Dioxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]indole-5-sulfonamide
CID 129218463
1-[(2,4-Dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
CID 129218486
Isatin sulfonamide, 9c
CID 42618276
2-chloro-5-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 2331668

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide (CID 166625316) is 1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide?
The InChIKey is HDUIGRFXWUQQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O4S/c16-11-3-1-8(5-12(11)17)7-19-13-4-2-9(24(18,22)23)6-10(13)14(20)15(19)21/h1-6H,7H2,(H2,18,22,23).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide?
1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide has a molecular weight of 385.23 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide is sourced from PubChem (CID 166625316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).