3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide

C19H24INO4S — CID 28575587

IUPAC3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide
SMILESCOc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(I)c2)cc1
InChIInChI=1S/C19H24INO4S/c1-13(2)11-18(14-5-7-15(24-3)8-6-14)21-26(22,23)16-9-10-19(25-4)17(20)12-16/h5-10,12-13,18,21H,11H2,1-4H3/t18-/m0/s1
InChIKeyMEDTWTDGGNDPQS-SFHVURJKSA-N
MW489.38 g/mol
LogP4.37
Rot. Bonds8

About 3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide

3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide (PubChem CID 28575587) has the molecular formula C19H24INO4S and a molecular weight of 489.38 g/mol. Its IUPAC name is 3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide.

Molecular Properties

Compound Name3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide
PubChem CID28575587
Molecular FormulaC19H24INO4S
Molecular Weight489.38 g/mol
Exact Mass489.05
IUPAC Name3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide
SMILESCOc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(I)c2)cc1
InChIInChI=1S/C19H24INO4S/c1-13(2)11-18(14-5-7-15(24-3)8-6-14)21-26(22,23)16-9-10-19(25-4)17(20)12-16/h5-10,12-13,18,21H,11H2,1-4H3/t18-/m0/s1
InChIKeyMEDTWTDGGNDPQS-SFHVURJKSA-N
XLogP4.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 93488254
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide
CID 133187731
4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 46764694
3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide
CID 93486219
methyl 2-chloro-5-[[1-(4-methoxyphenyl)-3-methylbutyl]sulfamoyl]benzoate
CID 133185100
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
CID 43904682
3-iodo-4-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 1294098
N-[5-[[1-(4-methoxyphenyl)-3-methylbutyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133202310
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide
CID 22772279
5-bromo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-sulfonamide
CID 99959421
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-methyl-5-nitrobenzenesulfonamide
CID 92683906
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 126412231

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide?
The IUPAC name of 3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide (CID 28575587) is 3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide.
What is the SMILES notation for 3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide?
The canonical SMILES for 3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide is COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(I)c2)cc1.
What is the InChIKey of 3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide?
The InChIKey is MEDTWTDGGNDPQS-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24INO4S/c1-13(2)11-18(14-5-7-15(24-3)8-6-14)21-26(22,23)16-9-10-19(25-4)17(20)12-16/h5-10,12-13,18,21H,11H2,1-4H3/t18-/m0/s1.
What are the key properties of 3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide?
3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide has a molecular weight of 489.38 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide is sourced from PubChem (CID 28575587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).