N-benzyl-5-iodo-2-methoxybenzenesulfonamide

C14H14INO3S — CID 1325962

IUPACN-benzyl-5-iodo-2-methoxybenzenesulfonamide
SMILESCOc1ccc(I)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C14H14INO3S/c1-19-13-8-7-12(15)9-14(13)20(17,18)16-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChIKeyFKLVDGOHHALLIW-UHFFFAOYSA-N
MW403.24 g/mol
LogP2.78
Rot. Bonds5

About N-benzyl-5-iodo-2-methoxybenzenesulfonamide

N-benzyl-5-iodo-2-methoxybenzenesulfonamide (PubChem CID 1325962) has the molecular formula C14H14INO3S and a molecular weight of 403.24 g/mol. Its IUPAC name is N-benzyl-5-iodo-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-5-iodo-2-methoxybenzenesulfonamide
PubChem CID1325962
Molecular FormulaC14H14INO3S
Molecular Weight403.24 g/mol
Exact Mass402.97
IUPAC NameN-benzyl-5-iodo-2-methoxybenzenesulfonamide
SMILESCOc1ccc(I)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C14H14INO3S/c1-19-13-8-7-12(15)9-14(13)20(17,18)16-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChIKeyFKLVDGOHHALLIW-UHFFFAOYSA-N
XLogP2.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.24
LogP ≤ 52.78
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-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909
5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide
CID 5017100
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861
2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 786081
5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 53288976
3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 28557712
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-iodo-2-methoxybenzenesulfonamide?
The IUPAC name of N-benzyl-5-iodo-2-methoxybenzenesulfonamide (CID 1325962) is N-benzyl-5-iodo-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-5-iodo-2-methoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-5-iodo-2-methoxybenzenesulfonamide is COc1ccc(I)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-5-iodo-2-methoxybenzenesulfonamide?
The InChIKey is FKLVDGOHHALLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO3S/c1-19-13-8-7-12(15)9-14(13)20(17,18)16-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3.
What are the key properties of N-benzyl-5-iodo-2-methoxybenzenesulfonamide?
N-benzyl-5-iodo-2-methoxybenzenesulfonamide has a molecular weight of 403.24 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-iodo-2-methoxybenzenesulfonamide is sourced from PubChem (CID 1325962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).