N-(5-iodo-4-methoxy-2-propan-2-ylphenyl)-4-methylbenzenesulfonamide

C17H20INO3S — CID 130474358

IUPACN-(5-iodo-4-methoxy-2-propan-2-ylphenyl)-4-methylbenzenesulfonamide
SMILESCOc1cc(C(C)C)c(NS(=O)(=O)c2ccc(C)cc2)cc1I
InChIInChI=1S/C17H20INO3S/c1-11(2)14-9-17(22-4)15(18)10-16(14)19-23(20,21)13-7-5-12(3)6-8-13/h5-11,19H,1-4H3
InChIKeyDXCNWBCAKIPZIX-UHFFFAOYSA-N
MW445.32 g/mol
LogP4.53
Rot. Bonds5

About N-(5-iodo-4-methoxy-2-propan-2-ylphenyl)-4-methylbenzenesulfonamide

N-(5-iodo-4-methoxy-2-propan-2-ylphenyl)-4-methylbenzenesulfonamide (PubChem CID 130474358) has the molecular formula C17H20INO3S and a molecular weight of 445.32 g/mol. Its IUPAC name is N-(5-iodo-4-methoxy-2-propan-2-ylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-iodo-4-methoxy-2-propan-2-ylphenyl)-4-methylbenzenesulfonamide
PubChem CID130474358
Molecular FormulaC17H20INO3S
Molecular Weight445.32 g/mol
Exact Mass445.02
IUPAC NameN-(5-iodo-4-methoxy-2-propan-2-ylphenyl)-4-methylbenzenesulfonamide
SMILESCOc1cc(C(C)C)c(NS(=O)(=O)c2ccc(C)cc2)cc1I
InChIInChI=1S/C17H20INO3S/c1-11(2)14-9-17(22-4)15(18)10-16(14)19-23(20,21)13-7-5-12(3)6-8-13/h5-11,19H,1-4H3
InChIKeyDXCNWBCAKIPZIX-UHFFFAOYSA-N
XLogP4.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.32
LogP ≤ 54.53
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

4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
(5-iodo-4-methoxy-2-propan-2-ylphenyl) 4-methylbenzenesulfonate;(4-methoxy-2-propan-2-ylphenyl) 4-methylbenzenesulfonate
CID 157179404
N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 1101866
N-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169371060
4-methyl-N-(2,4,6-trimethoxyphenyl)benzenesulfonamide
CID 110778552
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 104847775
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
CID 121315047
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 133186498
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 1289218

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-4-methoxy-2-propan-2-ylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-iodo-4-methoxy-2-propan-2-ylphenyl)-4-methylbenzenesulfonamide (CID 130474358) is N-(5-iodo-4-methoxy-2-propan-2-ylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-iodo-4-methoxy-2-propan-2-ylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-iodo-4-methoxy-2-propan-2-ylphenyl)-4-methylbenzenesulfonamide is COc1cc(C(C)C)c(NS(=O)(=O)c2ccc(C)cc2)cc1I.
What is the InChIKey of N-(5-iodo-4-methoxy-2-propan-2-ylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is DXCNWBCAKIPZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INO3S/c1-11(2)14-9-17(22-4)15(18)10-16(14)19-23(20,21)13-7-5-12(3)6-8-13/h5-11,19H,1-4H3.
What are the key properties of N-(5-iodo-4-methoxy-2-propan-2-ylphenyl)-4-methylbenzenesulfonamide?
N-(5-iodo-4-methoxy-2-propan-2-ylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 445.32 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-4-methoxy-2-propan-2-ylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 130474358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).