N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide

C19H16ClIN2O5S2 — CID 4647727

IUPACN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1I
InChIInChI=1S/C19H16ClIN2O5S2/c1-28-19-11-10-17(12-18(19)21)30(26,27)23-15-6-8-16(9-7-15)29(24,25)22-14-4-2-13(20)3-5-14/h2-12,22-23H,1H3
InChIKeyJJFYXJQIBQRRGC-UHFFFAOYSA-N
MW578.84 g/mol
LogP4.55
Rot. Bonds7

About N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide (PubChem CID 4647727) has the molecular formula C19H16ClIN2O5S2 and a molecular weight of 578.84 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
PubChem CID4647727
Molecular FormulaC19H16ClIN2O5S2
Molecular Weight578.84 g/mol
Exact Mass577.92
IUPAC NameN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1I
InChIInChI=1S/C19H16ClIN2O5S2/c1-28-19-11-10-17(12-18(19)21)30(26,27)23-15-6-8-16(9-7-15)29(24,25)22-14-4-2-13(20)3-5-14/h2-12,22-23H,1H3
InChIKeyJJFYXJQIBQRRGC-UHFFFAOYSA-N
XLogP4.55
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.84
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide 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-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 126412231
3-iodo-4-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide
CID 99940779
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide
CID 2975745
N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide
CID 71945709
3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 100520095
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 1289218
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43916699
4-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)benzenesulfonamide
CID 3749500

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide (CID 4647727) is N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1I.
What is the InChIKey of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide?
The InChIKey is JJFYXJQIBQRRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClIN2O5S2/c1-28-19-11-10-17(12-18(19)21)30(26,27)23-15-6-8-16(9-7-15)29(24,25)22-14-4-2-13(20)3-5-14/h2-12,22-23H,1H3.
What are the key properties of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide?
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide has a molecular weight of 578.84 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide is sourced from PubChem (CID 4647727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).