N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide

C13H11ClINO2S — CID 5000374

IUPACN-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(Cl)cc1)c1ccc(I)cc1
InChIInChI=1S/C13H11ClINO2S/c14-11-3-1-10(2-4-11)9-16-19(17,18)13-7-5-12(15)6-8-13/h1-8,16H,9H2
InChIKeyRNNBTPOFCLFWPS-UHFFFAOYSA-N
MW407.66 g/mol
LogP3.42
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide

N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide (PubChem CID 5000374) has the molecular formula C13H11ClINO2S and a molecular weight of 407.66 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide
PubChem CID5000374
Molecular FormulaC13H11ClINO2S
Molecular Weight407.66 g/mol
Exact Mass406.92
IUPAC NameN-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(Cl)cc1)c1ccc(I)cc1
InChIInChI=1S/C13H11ClINO2S/c14-11-3-1-10(2-4-11)9-16-19(17,18)13-7-5-12(15)6-8-13/h1-8,16H,9H2
InChIKeyRNNBTPOFCLFWPS-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.66
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 3717692
3,5-dichloro-N-[(4-iodophenyl)methyl]benzenesulfonamide
CID 4657753
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
N-[(3-bromo-4-fluorophenyl)methyl]-4-iodobenzenesulfonamide
CID 3790083
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 826869
4-chloro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 18096857
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 8815309
4-[[(4-chlorophenyl)sulfonylamino]methyl]benzenecarbothioamide
CID 62312387
6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 62162273

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide (CID 5000374) is N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide is O=S(=O)(NCc1ccc(Cl)cc1)c1ccc(I)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide?
The InChIKey is RNNBTPOFCLFWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClINO2S/c14-11-3-1-10(2-4-11)9-16-19(17,18)13-7-5-12(15)6-8-13/h1-8,16H,9H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide?
N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide has a molecular weight of 407.66 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide is sourced from PubChem (CID 5000374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).