N-[(4-iodo-3-methylphenyl)methyl]-5-methylpyridine-2-sulfonamide

C14H15IN2O2S — CID 167825077

IUPACN-[(4-iodo-3-methylphenyl)methyl]-5-methylpyridine-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(I)c(C)c2)nc1
InChIInChI=1S/C14H15IN2O2S/c1-10-3-6-14(16-8-10)20(18,19)17-9-12-4-5-13(15)11(2)7-12/h3-8,17H,9H2,1-2H3
InChIKeyDOBQVSKUHCIRDO-UHFFFAOYSA-N
MW402.26 g/mol
LogP2.78
Rot. Bonds4

About N-[(4-iodo-3-methylphenyl)methyl]-5-methylpyridine-2-sulfonamide

N-[(4-iodo-3-methylphenyl)methyl]-5-methylpyridine-2-sulfonamide (PubChem CID 167825077) has the molecular formula C14H15IN2O2S and a molecular weight of 402.26 g/mol. Its IUPAC name is N-[(4-iodo-3-methylphenyl)methyl]-5-methylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-iodo-3-methylphenyl)methyl]-5-methylpyridine-2-sulfonamide
PubChem CID167825077
Molecular FormulaC14H15IN2O2S
Molecular Weight402.26 g/mol
Exact Mass401.99
IUPAC NameN-[(4-iodo-3-methylphenyl)methyl]-5-methylpyridine-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(I)c(C)c2)nc1
InChIInChI=1S/C14H15IN2O2S/c1-10-3-6-14(16-8-10)20(18,19)17-9-12-4-5-13(15)11(2)7-12/h3-8,17H,9H2,1-2H3
InChIKeyDOBQVSKUHCIRDO-UHFFFAOYSA-N
XLogP2.78
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-iodo-3-methylphenyl)methyl]-5-methylpyridine-2-sulfonamide?
The IUPAC name of N-[(4-iodo-3-methylphenyl)methyl]-5-methylpyridine-2-sulfonamide (CID 167825077) is N-[(4-iodo-3-methylphenyl)methyl]-5-methylpyridine-2-sulfonamide.
What is the SMILES notation for N-[(4-iodo-3-methylphenyl)methyl]-5-methylpyridine-2-sulfonamide?
The canonical SMILES for N-[(4-iodo-3-methylphenyl)methyl]-5-methylpyridine-2-sulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(I)c(C)c2)nc1.
What is the InChIKey of N-[(4-iodo-3-methylphenyl)methyl]-5-methylpyridine-2-sulfonamide?
The InChIKey is DOBQVSKUHCIRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O2S/c1-10-3-6-14(16-8-10)20(18,19)17-9-12-4-5-13(15)11(2)7-12/h3-8,17H,9H2,1-2H3.
What are the key properties of N-[(4-iodo-3-methylphenyl)methyl]-5-methylpyridine-2-sulfonamide?
N-[(4-iodo-3-methylphenyl)methyl]-5-methylpyridine-2-sulfonamide has a molecular weight of 402.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodo-3-methylphenyl)methyl]-5-methylpyridine-2-sulfonamide is sourced from PubChem (CID 167825077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).