N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide

C17H20INO3S — CID 2975745

IUPACN-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(I)c2)cc1
InChIInChI=1S/C17H20INO3S/c1-3-4-5-13-6-8-14(9-7-13)19-23(20,21)15-10-11-17(22-2)16(18)12-15/h6-12,19H,3-5H2,1-2H3
InChIKeyDYOVLODOSBMNBZ-UHFFFAOYSA-N
MW445.32 g/mol
LogP4.44
Rot. Bonds7

About N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide

N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide (PubChem CID 2975745) has the molecular formula C17H20INO3S and a molecular weight of 445.32 g/mol. Its IUPAC name is N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide
PubChem CID2975745
Molecular FormulaC17H20INO3S
Molecular Weight445.32 g/mol
Exact Mass445.02
IUPAC NameN-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(I)c2)cc1
InChIInChI=1S/C17H20INO3S/c1-3-4-5-13-6-8-14(9-7-13)19-23(20,21)15-10-11-17(22-2)16(18)12-15/h6-12,19H,3-5H2,1-2H3
InChIKeyDYOVLODOSBMNBZ-UHFFFAOYSA-N
XLogP4.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.32
LogP ≤ 54.44
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-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 4647727
N-[5-[(4-butylphenyl)sulfamoyl]-2-methoxyphenyl]-3-chlorobenzamide
CID 3995108
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 126412231
4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 6413238
3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 27258622
1-(4-butylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19678912
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
2-amino-N-(4-butylphenyl)pyridine-4-sulfonamide
CID 62145322
4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683735
5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 2133735
5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate
CID 7040597
N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride
CID 10126239

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide (CID 2975745) is N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide is CCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(I)c2)cc1.
What is the InChIKey of N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide?
The InChIKey is DYOVLODOSBMNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INO3S/c1-3-4-5-13-6-8-14(9-7-13)19-23(20,21)15-10-11-17(22-2)16(18)12-15/h6-12,19H,3-5H2,1-2H3.
What are the key properties of N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide?
N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide has a molecular weight of 445.32 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide is sourced from PubChem (CID 2975745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).