N-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

C15H12ClFN2O3S — CID 139975297

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCc3ccc(Cl)cc3F)ccc2N1
InChIInChI=1S/C15H12ClFN2O3S/c16-11-2-1-9(13(17)7-11)8-18-23(21,22)12-3-4-14-10(5-12)6-15(20)19-14/h1-5,7,18H,6,8H2,(H,19,20)
InChIKeyGGBPAGUIIUKFQR-UHFFFAOYSA-N
MW354.79 g/mol
LogP2.45
Rot. Bonds4

About N-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

N-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 139975297) has the molecular formula C15H12ClFN2O3S and a molecular weight of 354.79 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID139975297
Molecular FormulaC15H12ClFN2O3S
Molecular Weight354.79 g/mol
Exact Mass354.02
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCc3ccc(Cl)cc3F)ccc2N1
InChIInChI=1S/C15H12ClFN2O3S/c16-11-2-1-9(13(17)7-11)8-18-23(21,22)12-3-4-14-10(5-12)6-15(20)19-14/h1-5,7,18H,6,8H2,(H,19,20)
InChIKeyGGBPAGUIIUKFQR-UHFFFAOYSA-N
XLogP2.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110782261
N-[2-(4-chlorophenyl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113098245
N-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110357511
N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 28754114
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110291596
N-(4-chlorophenyl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
CID 112997954
N-[(2-methoxy-5-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110779876
N-(4-chloro-2-pyridinyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115687703
2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 6624556
N-[4-(4-fluorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110288772
N-(3,4-dichlorophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9055840
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110324489

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 139975297) is N-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)NCc3ccc(Cl)cc3F)ccc2N1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is GGBPAGUIIUKFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O3S/c16-11-2-1-9(13(17)7-11)8-18-23(21,22)12-3-4-14-10(5-12)6-15(20)19-14/h1-5,7,18H,6,8H2,(H,19,20).
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 354.79 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 139975297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).