N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide

C14H14ClIN2O2S — CID 106006523

IUPACN-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)Nc2ccc(I)cc2Cl)c1
InChIInChI=1S/C14H14ClIN2O2S/c1-17-9-10-3-2-4-12(7-10)21(19,20)18-14-6-5-11(16)8-13(14)15/h2-8,17-18H,9H2,1H3
InChIKeyVSQJFXWHYFOGFA-UHFFFAOYSA-N
MW436.70 g/mol
LogP3.46
Rot. Bonds5

About N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide

N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106006523) has the molecular formula C14H14ClIN2O2S and a molecular weight of 436.70 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106006523
Molecular FormulaC14H14ClIN2O2S
Molecular Weight436.70 g/mol
Exact Mass435.95
IUPAC NameN-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)Nc2ccc(I)cc2Cl)c1
InChIInChI=1S/C14H14ClIN2O2S/c1-17-9-10-3-2-4-12(7-10)21(19,20)18-14-6-5-11(16)8-13(14)15/h2-8,17-18H,9H2,1H3
InChIKeyVSQJFXWHYFOGFA-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.70
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106029553
N-(4-chlorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106060719
N-(2-chloro-4-iodophenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106006784
N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
CID 39875442
N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106061147
N-(2,3-difluorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106017374
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106058600
N-(4-fluorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106061658
3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide
CID 107605493
3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 106057745
3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063067
N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106090021

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide (CID 106006523) is N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)Nc2ccc(I)cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is VSQJFXWHYFOGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClIN2O2S/c1-17-9-10-3-2-4-12(7-10)21(19,20)18-14-6-5-11(16)8-13(14)15/h2-8,17-18H,9H2,1H3.
What are the key properties of N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide?
N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 436.70 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106006523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).