N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide

C11H8ClIN2O2S — CID 113221263

IUPACN-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1ccc(I)cc1
InChIInChI=1S/C11H8ClIN2O2S/c12-11-10(2-1-7-14-11)15-18(16,17)9-5-3-8(13)4-6-9/h1-7,15H
InChIKeyIRRDDYCBVHDWFG-UHFFFAOYSA-N
MW394.62 g/mol
LogP3.14
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide

N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide (PubChem CID 113221263) has the molecular formula C11H8ClIN2O2S and a molecular weight of 394.62 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide
PubChem CID113221263
Molecular FormulaC11H8ClIN2O2S
Molecular Weight394.62 g/mol
Exact Mass393.90
IUPAC NameN-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1ccc(I)cc1
InChIInChI=1S/C11H8ClIN2O2S/c12-11-10(2-1-7-14-11)15-18(16,17)9-5-3-8(13)4-6-9/h1-7,15H
InChIKeyIRRDDYCBVHDWFG-UHFFFAOYSA-N
XLogP3.14
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.62
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide
CID 4994113
N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 2169091
4-iodo-N-quinolin-8-ylbenzenesulfonamide
CID 25048748
N-(2-chlorophenyl)-4-iodobenzenesulfonamide
CID 47154415
N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26969819
4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 103709774
5-chloro-N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 4729238
2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid
CID 103710289
4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 3792615
2,5-dichloro-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 18274556
5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid
CID 43237867
N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 2405422

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide (CID 113221263) is N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide is O=S(=O)(Nc1cccnc1Cl)c1ccc(I)cc1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide?
The InChIKey is IRRDDYCBVHDWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClIN2O2S/c12-11-10(2-1-7-14-11)15-18(16,17)9-5-3-8(13)4-6-9/h1-7,15H.
What are the key properties of N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide?
N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide has a molecular weight of 394.62 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide is sourced from PubChem (CID 113221263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).