2-benzylsulfinyl-N-(4-iodophenyl)pyridine-3-carboxamide

C19H15IN2O2S — CID 10411994

IUPAC2-benzylsulfinyl-N-(4-iodophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(I)cc1)c1cccnc1S(=O)Cc1ccccc1
InChIInChI=1S/C19H15IN2O2S/c20-15-8-10-16(11-9-15)22-18(23)17-7-4-12-21-19(17)25(24)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23)
InChIKeyTVYOWHQEJCQGQC-UHFFFAOYSA-N
MW462.31 g/mol
LogP4.25
Rot. Bonds5

About 2-benzylsulfinyl-N-(4-iodophenyl)pyridine-3-carboxamide

2-benzylsulfinyl-N-(4-iodophenyl)pyridine-3-carboxamide (PubChem CID 10411994) has the molecular formula C19H15IN2O2S and a molecular weight of 462.31 g/mol. Its IUPAC name is 2-benzylsulfinyl-N-(4-iodophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-benzylsulfinyl-N-(4-iodophenyl)pyridine-3-carboxamide
PubChem CID10411994
Molecular FormulaC19H15IN2O2S
Molecular Weight462.31 g/mol
Exact Mass461.99
IUPAC Name2-benzylsulfinyl-N-(4-iodophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(I)cc1)c1cccnc1S(=O)Cc1ccccc1
InChIInChI=1S/C19H15IN2O2S/c20-15-8-10-16(11-9-15)22-18(23)17-7-4-12-21-19(17)25(24)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23)
InChIKeyTVYOWHQEJCQGQC-UHFFFAOYSA-N
XLogP4.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.31
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzylsulfinyl-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide
CID 10342105
1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide
CID 2852267
2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine
CID 65476330
2-[[4-(dimethylamino)-2,3,6-trifluorophenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 10765265
2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
2-[[5-chloro-2-(dimethylamino)phenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 139694429
N-(4-iodophenyl)naphthalene-1-carboxamide
CID 1019200
N-(4-iodophenyl)-3-methylpyridine-2-carboxamide
CID 62339482
[2-[(4-iodophenyl)carbamoyl]phenyl] acetate
CID 3361929
2-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 615692
2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 2446896
2-ethenyl-N-phenylpyridine-3-carboxamide
CID 144514888

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfinyl-N-(4-iodophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-benzylsulfinyl-N-(4-iodophenyl)pyridine-3-carboxamide (CID 10411994) is 2-benzylsulfinyl-N-(4-iodophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-benzylsulfinyl-N-(4-iodophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-benzylsulfinyl-N-(4-iodophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(I)cc1)c1cccnc1S(=O)Cc1ccccc1.
What is the InChIKey of 2-benzylsulfinyl-N-(4-iodophenyl)pyridine-3-carboxamide?
The InChIKey is TVYOWHQEJCQGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15IN2O2S/c20-15-8-10-16(11-9-15)22-18(23)17-7-4-12-21-19(17)25(24)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23).
What are the key properties of 2-benzylsulfinyl-N-(4-iodophenyl)pyridine-3-carboxamide?
2-benzylsulfinyl-N-(4-iodophenyl)pyridine-3-carboxamide has a molecular weight of 462.31 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfinyl-N-(4-iodophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 10411994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).