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

C21H15ClN2O4S — CID 17016382

IUPACN-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H15ClN2O4S/c22-15-4-3-5-16(12-15)23-29(27,28)17-10-8-14(9-11-17)13-24-20(25)18-6-1-2-7-19(18)21(24)26/h1-12,23H,13H2
InChIKeyOPIXEFRWQCKVSF-UHFFFAOYSA-N
MW426.88 g/mol
LogP3.94
Rot. Bonds5

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

N-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide (PubChem CID 17016382) has the molecular formula C21H15ClN2O4S and a molecular weight of 426.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
PubChem CID17016382
Molecular FormulaC21H15ClN2O4S
Molecular Weight426.88 g/mol
Exact Mass426.04
IUPAC NameN-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H15ClN2O4S/c22-15-4-3-5-16(12-15)23-29(27,28)17-10-8-14(9-11-17)13-24-20(25)18-6-1-2-7-19(18)21(24)26/h1-12,23H,13H2
InChIKeyOPIXEFRWQCKVSF-UHFFFAOYSA-N
XLogP3.94
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide
CID 16644480
N-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 91937827
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-methylbenzenesulfonamide
CID 71579439
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 108781141
2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
CID 43440440
4-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(3-methoxyphenyl)benzenesulfonamide
CID 20914238
N-(3-chlorophenyl)-4-iodobenzenesulfonamide
CID 3419372
N-(3-chlorophenyl)-4-pentylbenzenesulfonamide
CID 3741817
4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonyl chloride;sulfurochloridic acid
CID 159849106
2-[[3-[2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]hydrazinyl]phenyl]methyl]isoindole-1,3-dione
CID 167064144
N-(3-chlorophenyl)-4-nitrobenzenesulfonamide
CID 2302993
N-(3-chloro-4-methoxyphenyl)-4-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]benzenesulfonamide
CID 20914323

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide (CID 17016382) is N-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide is O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide?
The InChIKey is OPIXEFRWQCKVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O4S/c22-15-4-3-5-16(12-15)23-29(27,28)17-10-8-14(9-11-17)13-24-20(25)18-6-1-2-7-19(18)21(24)26/h1-12,23H,13H2.
What are the key properties of N-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide?
N-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide has a molecular weight of 426.88 g/mol, XLogP of 3.94, 5 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)methyl]benzenesulfonamide is sourced from PubChem (CID 17016382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).