N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide

C12H11IN2O2S — CID 3865818

IUPACN-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide
SMILESCc1cc(I)ccc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C12H11IN2O2S/c1-9-7-10(13)4-5-12(9)15-18(16,17)11-3-2-6-14-8-11/h2-8,15H,1H3
InChIKeyJAFLWAOPEABTFR-UHFFFAOYSA-N
MW374.20 g/mol
LogP2.80
Rot. Bonds3

About N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide

N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide (PubChem CID 3865818) has the molecular formula C12H11IN2O2S and a molecular weight of 374.20 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide
PubChem CID3865818
Molecular FormulaC12H11IN2O2S
Molecular Weight374.20 g/mol
Exact Mass373.96
IUPAC NameN-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide
SMILESCc1cc(I)ccc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C12H11IN2O2S/c1-9-7-10(13)4-5-12(9)15-18(16,17)11-3-2-6-14-8-11/h2-8,15H,1H3
InChIKeyJAFLWAOPEABTFR-UHFFFAOYSA-N
XLogP2.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.20
LogP ≤ 52.80
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

N-(4-amino-2-methylphenyl)pyridine-3-sulfonamide
CID 24696951
6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide
CID 47104374
N-(3-iodophenyl)pyridine-3-sulfonamide
CID 61400317
N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3729383
4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid
CID 24709903
N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
CID 62105428
3,4-difluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3838245
N-(2-bromo-3-pyridinyl)pyridine-3-sulfonamide
CID 103816034
methyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate
CID 25038996
N-(2-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 110865788
2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3513589
N-(2,5-dichlorophenyl)pyridine-3-sulfonamide
CID 16638548

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide (CID 3865818) is N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide is Cc1cc(I)ccc1NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide?
The InChIKey is JAFLWAOPEABTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O2S/c1-9-7-10(13)4-5-12(9)15-18(16,17)11-3-2-6-14-8-11/h2-8,15H,1H3.
What are the key properties of N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide?
N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide has a molecular weight of 374.20 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 3865818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).