3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide

C17H20INO3S — CID 93486219

IUPAC3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide
SMILESCC[C@@H](NS(=O)(=O)c1ccc(OC)c(I)c1)c1ccc(C)cc1
InChIInChI=1S/C17H20INO3S/c1-4-16(13-7-5-12(2)6-8-13)19-23(20,21)14-9-10-17(22-3)15(18)11-14/h5-11,16,19H,4H2,1-3H3/t16-/m1/s1
InChIKeyNQPCCBVNEDWPBI-MRXNPFEDSA-N
MW445.32 g/mol
LogP4.04
Rot. Bonds6

About 3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide

3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide (PubChem CID 93486219) has the molecular formula C17H20INO3S and a molecular weight of 445.32 g/mol. Its IUPAC name is 3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide
PubChem CID93486219
Molecular FormulaC17H20INO3S
Molecular Weight445.32 g/mol
Exact Mass445.02
IUPAC Name3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide
SMILESCC[C@@H](NS(=O)(=O)c1ccc(OC)c(I)c1)c1ccc(C)cc1
InChIInChI=1S/C17H20INO3S/c1-4-16(13-7-5-12(2)6-8-13)19-23(20,21)14-9-10-17(22-3)15(18)11-14/h5-11,16,19H,4H2,1-3H3/t16-/m1/s1
InChIKeyNQPCCBVNEDWPBI-MRXNPFEDSA-N
XLogP4.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.32
LogP ≤ 54.04
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-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide
CID 133160247
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240
4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
CID 43904682
3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide
CID 28575587
4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 133184980
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide
CID 22772279
N-[1-(4-methylphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43001317
3-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 651622
2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide
CID 133158390
3-iodo-4-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 1294098
3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 18271278

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide?
The IUPAC name of 3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide (CID 93486219) is 3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide is CC[C@@H](NS(=O)(=O)c1ccc(OC)c(I)c1)c1ccc(C)cc1.
What is the InChIKey of 3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide?
The InChIKey is NQPCCBVNEDWPBI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20INO3S/c1-4-16(13-7-5-12(2)6-8-13)19-23(20,21)14-9-10-17(22-3)15(18)11-14/h5-11,16,19H,4H2,1-3H3/t16-/m1/s1.
What are the key properties of 3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide?
3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide has a molecular weight of 445.32 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 93486219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).