N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide

C14H14INO3S — CID 50876651

IUPACN-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)ccc1S(=O)(=O)Nc1ccc(I)cc1
InChIInChI=1S/C14H14INO3S/c1-10-3-8-14(13(9-10)19-2)20(17,18)16-12-6-4-11(15)5-7-12/h3-9,16H,1-2H3
InChIKeyDAPJZABKESVDLT-UHFFFAOYSA-N
MW403.24 g/mol
LogP3.41
Rot. Bonds4

About N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide

N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide (PubChem CID 50876651) has the molecular formula C14H14INO3S and a molecular weight of 403.24 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide
PubChem CID50876651
Molecular FormulaC14H14INO3S
Molecular Weight403.24 g/mol
Exact Mass402.97
IUPAC NameN-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)ccc1S(=O)(=O)Nc1ccc(I)cc1
InChIInChI=1S/C14H14INO3S/c1-10-3-8-14(13(9-10)19-2)20(17,18)16-12-6-4-11(15)5-7-12/h3-9,16H,1-2H3
InChIKeyDAPJZABKESVDLT-UHFFFAOYSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.24
LogP ≤ 53.41
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-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 50876761
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 22773637
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
CID 43602608
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
2-methoxy-4-methyl-1-methylsulfonylbenzene
CID 23546847
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 110776380
2-methoxy-4-methylbenzenesulfonyl fluoride
CID 141209179
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide (CID 50876651) is N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide is COc1cc(C)ccc1S(=O)(=O)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is DAPJZABKESVDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO3S/c1-10-3-8-14(13(9-10)19-2)20(17,18)16-12-6-4-11(15)5-7-12/h3-9,16H,1-2H3.
What are the key properties of N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide?
N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide has a molecular weight of 403.24 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 50876651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).