5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide

C14H13ClINO3S — CID 5017100

IUPAC5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1cccc(I)c1
InChIInChI=1S/C14H13ClINO3S/c1-20-13-6-5-11(15)8-14(13)21(18,19)17-9-10-3-2-4-12(16)7-10/h2-8,17H,9H2,1H3
InChIKeyLQHRXGHLEVXNIS-UHFFFAOYSA-N
MW437.69 g/mol
LogP3.43
Rot. Bonds5

About 5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide

5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide (PubChem CID 5017100) has the molecular formula C14H13ClINO3S and a molecular weight of 437.69 g/mol. Its IUPAC name is 5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide
PubChem CID5017100
Molecular FormulaC14H13ClINO3S
Molecular Weight437.69 g/mol
Exact Mass436.93
IUPAC Name5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1cccc(I)c1
InChIInChI=1S/C14H13ClINO3S/c1-20-13-6-5-11(15)8-14(13)21(18,19)17-9-10-3-2-4-12(16)7-10/h2-8,17H,9H2,1H3
InChIKeyLQHRXGHLEVXNIS-UHFFFAOYSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.69
LogP ≤ 53.43
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

5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
5-chloro-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3794261
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
N-benzyl-5-iodo-2-methoxybenzenesulfonamide
CID 1325962
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576
5-chloro-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 4982528
5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051
N-benzyl-5-chloro-2-ethoxybenzenesulfonamide
CID 2992012
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide
CID 119103357

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide (CID 5017100) is 5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCc1cccc(I)c1.
What is the InChIKey of 5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide?
The InChIKey is LQHRXGHLEVXNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClINO3S/c1-20-13-6-5-11(15)8-14(13)21(18,19)17-9-10-3-2-4-12(16)7-10/h2-8,17H,9H2,1H3.
What are the key properties of 5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide has a molecular weight of 437.69 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 5017100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).