N-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]benzenesulfonamide

C20H16N2O3S — CID 5329879

IUPACN-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]benzenesulfonamide
SMILESO=C1NCc2c1cccc2-c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16N2O3S/c23-20-18-8-4-7-17(19(18)13-21-20)14-9-11-15(12-10-14)22-26(24,25)16-5-2-1-3-6-16/h1-12,22H,13H2,(H,21,23)
InChIKeyZRCRWIFHCHDKSW-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.40
Rot. Bonds4

About N-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]benzenesulfonamide

N-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]benzenesulfonamide (PubChem CID 5329879) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]benzenesulfonamide
PubChem CID5329879
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC NameN-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]benzenesulfonamide
SMILESO=C1NCc2c1cccc2-c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16N2O3S/c23-20-18-8-4-7-17(19(18)13-21-20)14-9-11-15(12-10-14)22-26(24,25)16-5-2-1-3-6-16/h1-12,22H,13H2,(H,21,23)
InChIKeyZRCRWIFHCHDKSW-UHFFFAOYSA-N
XLogP3.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]-3-phenylurea
CID 5329877
4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one
CID 172769018
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714189
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide
CID 172686672
3-acetyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)benzenesulfonamide
CID 86870294
4-thiophen-3-yl-2,3-dihydroisoindol-1-one
CID 175996469
N-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 35543016
N-[4-(1-benzothiophen-3-yl)phenyl]benzenesulfonamide
CID 54515883
4-(furan-3-yl)-2,3-dihydroisoindol-1-one
CID 175996463
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]benzenesulfonamide (CID 5329879) is N-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]benzenesulfonamide is O=C1NCc2c1cccc2-c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is ZRCRWIFHCHDKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c23-20-18-8-4-7-17(19(18)13-21-20)14-9-11-15(12-10-14)22-26(24,25)16-5-2-1-3-6-16/h1-12,22H,13H2,(H,21,23).
What are the key properties of N-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]benzenesulfonamide?
N-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 5329879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).