N-(6-chloro-2-iodo-3-pyridinyl)benzenesulfonamide

C11H8ClIN2O2S — CID 23635587

IUPACN-(6-chloro-2-iodo-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)nc1I)c1ccccc1
InChIInChI=1S/C11H8ClIN2O2S/c12-10-7-6-9(11(13)14-10)15-18(16,17)8-4-2-1-3-5-8/h1-7,15H
InChIKeySEWNVPOEJNQUFQ-UHFFFAOYSA-N
MW394.62 g/mol
LogP3.14
Rot. Bonds3

About N-(6-chloro-2-iodo-3-pyridinyl)benzenesulfonamide

N-(6-chloro-2-iodo-3-pyridinyl)benzenesulfonamide (PubChem CID 23635587) has the molecular formula C11H8ClIN2O2S and a molecular weight of 394.62 g/mol. Its IUPAC name is N-(6-chloro-2-iodo-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-2-iodo-3-pyridinyl)benzenesulfonamide
PubChem CID23635587
Molecular FormulaC11H8ClIN2O2S
Molecular Weight394.62 g/mol
Exact Mass393.90
IUPAC NameN-(6-chloro-2-iodo-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)nc1I)c1ccccc1
InChIInChI=1S/C11H8ClIN2O2S/c12-10-7-6-9(11(13)14-10)15-18(16,17)8-4-2-1-3-5-8/h1-7,15H
InChIKeySEWNVPOEJNQUFQ-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'}

Analyze N-(6-chloro-2-iodo-3-pyridinyl)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-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide
CID 87538260
N-(2-iodophenyl)benzenesulfonamide
CID 632219
N-(2-bromo-6-methoxy-3-pyridinyl)benzenesulfonamide
CID 87537913
N-(2-chlorophenyl)-4-iodobenzenesulfonamide
CID 47154415
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide
CID 134879213
6-chloro-N-phenylpyridine-3-sulfonamide
CID 4729892
N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide
CID 134393571
4-(benzenesulfonamido)thiophene-3-carboxylic acid
CID 70120734

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-iodo-3-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(6-chloro-2-iodo-3-pyridinyl)benzenesulfonamide (CID 23635587) is N-(6-chloro-2-iodo-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(6-chloro-2-iodo-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(6-chloro-2-iodo-3-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)nc1I)c1ccccc1.
What is the InChIKey of N-(6-chloro-2-iodo-3-pyridinyl)benzenesulfonamide?
The InChIKey is SEWNVPOEJNQUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClIN2O2S/c12-10-7-6-9(11(13)14-10)15-18(16,17)8-4-2-1-3-5-8/h1-7,15H.
What are the key properties of N-(6-chloro-2-iodo-3-pyridinyl)benzenesulfonamide?
N-(6-chloro-2-iodo-3-pyridinyl)benzenesulfonamide 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-(6-chloro-2-iodo-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 23635587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).