4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide

C14H9ClN2O4S — CID 973584

IUPAC4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide
SMILESO=C1NC(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C14H9ClN2O4S/c15-8-1-4-10(5-2-8)22(20,21)17-9-3-6-11-12(7-9)14(19)16-13(11)18/h1-7,17H,(H,16,18,19)
InChIKeyAXASLJDRTUFIFO-UHFFFAOYSA-N
MW336.76 g/mol
LogP2.02
Rot. Bonds3

About 4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide

4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide (PubChem CID 973584) has the molecular formula C14H9ClN2O4S and a molecular weight of 336.76 g/mol. Its IUPAC name is 4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide
PubChem CID973584
Molecular FormulaC14H9ClN2O4S
Molecular Weight336.76 g/mol
Exact Mass336.00
IUPAC Name4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide
SMILESO=C1NC(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C14H9ClN2O4S/c15-8-1-4-10(5-2-8)22(20,21)17-9-3-6-11-12(7-9)14(19)16-13(11)18/h1-7,17H,(H,16,18,19)
InChIKeyAXASLJDRTUFIFO-UHFFFAOYSA-N
XLogP2.02
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.76
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide
CID 1244571
2-[(4-chlorophenyl)sulfonylamino]-N-(1,3-dioxoisoindol-5-yl)benzamide
CID 44898443
4-chloro-N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide
CID 40889288
4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide
CID 40889144
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 56582438
N-[(4Z)-4-(methoxymethylidene)-1,3-dioxoisoquinolin-6-yl]benzenesulfonamide
CID 143496898
N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820442
4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
CID 112979886
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea
CID 56560659
N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide
CID 82861438

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide (CID 973584) is 4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide is O=C1NC(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide?
The InChIKey is AXASLJDRTUFIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O4S/c15-8-1-4-10(5-2-8)22(20,21)17-9-3-6-11-12(7-9)14(19)16-13(11)18/h1-7,17H,(H,16,18,19).
What are the key properties of 4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide?
4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide has a molecular weight of 336.76 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide is sourced from PubChem (CID 973584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).