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

C14H15IN2O2S — CID 106029553

IUPACN-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C14H15IN2O2S/c1-16-10-11-3-2-4-14(9-11)20(18,19)17-13-7-5-12(15)6-8-13/h2-9,16-17H,10H2,1H3
InChIKeyAQLMLRCLLCSCQB-UHFFFAOYSA-N
MW402.26 g/mol
LogP2.81
Rot. Bonds5

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

N-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106029553) has the molecular formula C14H15IN2O2S and a molecular weight of 402.26 g/mol. Its IUPAC name is N-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106029553
Molecular FormulaC14H15IN2O2S
Molecular Weight402.26 g/mol
Exact Mass401.99
IUPAC NameN-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C14H15IN2O2S/c1-16-10-11-3-2-4-14(9-11)20(18,19)17-13-7-5-12(15)6-8-13/h2-9,16-17H,10H2,1H3
InChIKeyAQLMLRCLLCSCQB-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 52.81
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-fluorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106061658
N-(4-chlorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106060719
3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 106057745
N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106006523
N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106061147
N-methyl-1-(3-methylsulfonylphenyl)methanamine
CID 58293040
N-(2,3-difluorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106017374
3-(methylaminomethyl)benzenesulfonic acid
CID 19897302
N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106029596
3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide
CID 43507196
3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 106060159
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106058600

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide (CID 106029553) is N-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)Nc2ccc(I)cc2)c1.
What is the InChIKey of N-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is AQLMLRCLLCSCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O2S/c1-16-10-11-3-2-4-14(9-11)20(18,19)17-13-7-5-12(15)6-8-13/h2-9,16-17H,10H2,1H3.
What are the key properties of N-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide?
N-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 402.26 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106029553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).