N-(3-chlorophenyl)-4-iodobenzenesulfonamide

C12H9ClINO2S — CID 3419372

IUPACN-(3-chlorophenyl)-4-iodobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1ccc(I)cc1
InChIInChI=1S/C12H9ClINO2S/c13-9-2-1-3-11(8-9)15-18(16,17)12-6-4-10(14)5-7-12/h1-8,15H
InChIKeyLPFPXGGOYHZHAJ-UHFFFAOYSA-N
MW393.63 g/mol
LogP3.75
Rot. Bonds3

About N-(3-chlorophenyl)-4-iodobenzenesulfonamide

N-(3-chlorophenyl)-4-iodobenzenesulfonamide (PubChem CID 3419372) has the molecular formula C12H9ClINO2S and a molecular weight of 393.63 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-iodobenzenesulfonamide
PubChem CID3419372
Molecular FormulaC12H9ClINO2S
Molecular Weight393.63 g/mol
Exact Mass392.91
IUPAC NameN-(3-chlorophenyl)-4-iodobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1ccc(I)cc1
InChIInChI=1S/C12H9ClINO2S/c13-9-2-1-3-11(8-9)15-18(16,17)12-6-4-10(14)5-7-12/h1-8,15H
InChIKeyLPFPXGGOYHZHAJ-UHFFFAOYSA-N
XLogP3.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.63
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide
CID 26967322
N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide
CID 4254070
N-(3-chlorophenyl)-4-nitrobenzenesulfonamide
CID 2302993
5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126134587
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 4647141
N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
CID 3874122
2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
CID 43440440
3-amino-N-(3-chlorophenyl)benzenesulfonamide
CID 3828479
N-(3-chlorophenyl)-4-pentylbenzenesulfonamide
CID 3741817
N-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 91937827
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26979177

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-iodobenzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-4-iodobenzenesulfonamide (CID 3419372) is N-(3-chlorophenyl)-4-iodobenzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-iodobenzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-4-iodobenzenesulfonamide is O=S(=O)(Nc1cccc(Cl)c1)c1ccc(I)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-iodobenzenesulfonamide?
The InChIKey is LPFPXGGOYHZHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClINO2S/c13-9-2-1-3-11(8-9)15-18(16,17)12-6-4-10(14)5-7-12/h1-8,15H.
What are the key properties of N-(3-chlorophenyl)-4-iodobenzenesulfonamide?
N-(3-chlorophenyl)-4-iodobenzenesulfonamide has a molecular weight of 393.63 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-iodobenzenesulfonamide is sourced from PubChem (CID 3419372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).