N-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide

C20H13ClN2O4S — CID 91937827

IUPACN-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
SMILESO=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H13ClN2O4S/c21-13-4-3-5-14(12-13)22-28(26,27)16-10-8-15(9-11-16)23-19(24)17-6-1-2-7-18(17)20(23)25/h1-12,22H
InChIKeyNEIMGUMPOQWCKI-UHFFFAOYSA-N
MW412.85 g/mol
LogP3.94
Rot. Bonds4

About N-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide

N-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide (PubChem CID 91937827) has the molecular formula C20H13ClN2O4S and a molecular weight of 412.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
PubChem CID91937827
Molecular FormulaC20H13ClN2O4S
Molecular Weight412.85 g/mol
Exact Mass412.03
IUPAC NameN-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
SMILESO=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H13ClN2O4S/c21-13-4-3-5-14(12-13)22-28(26,27)16-10-8-15(9-11-16)23-19(24)17-6-1-2-7-18(17)20(23)25/h1-12,22H
InChIKeyNEIMGUMPOQWCKI-UHFFFAOYSA-N
XLogP3.94
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.85
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
CID 17016382
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide
CID 110352274
N-(3-chlorophenyl)-4-iodobenzenesulfonamide
CID 3419372
N-(3-chlorophenyl)-4-nitrobenzenesulfonamide
CID 2302993
N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide
CID 16644480
N-(3-chlorophenyl)-4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)benzenesulfonamide
CID 142750342
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide
CID 26967322
N-(3-chlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
CID 25048658
2-[4-(trihydroxy-λ4-sulfanyl)phenyl]isoindole-1,3-dione
CID 20755596
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide
CID 680996
2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
CID 43440440
4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide
CID 867577

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide (CID 91937827) is N-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide is O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The InChIKey is NEIMGUMPOQWCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O4S/c21-13-4-3-5-14(12-13)22-28(26,27)16-10-8-15(9-11-16)23-19(24)17-6-1-2-7-18(17)20(23)25/h1-12,22H.
What are the key properties of N-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
N-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide has a molecular weight of 412.85 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide is sourced from PubChem (CID 91937827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).