N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide

C13H11ClINO2S — CID 39875442

IUPACN-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(I)cc2Cl)cc1
InChIInChI=1S/C13H11ClINO2S/c1-9-2-5-11(6-3-9)19(17,18)16-13-7-4-10(15)8-12(13)14/h2-8,16H,1H3
InChIKeyFDVRVTLILGSTHQ-UHFFFAOYSA-N
MW407.66 g/mol
LogP4.05
Rot. Bonds3

About N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide

N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide (PubChem CID 39875442) has the molecular formula C13H11ClINO2S and a molecular weight of 407.66 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
PubChem CID39875442
Molecular FormulaC13H11ClINO2S
Molecular Weight407.66 g/mol
Exact Mass406.92
IUPAC NameN-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(I)cc2Cl)cc1
InChIInChI=1S/C13H11ClINO2S/c1-9-2-5-11(6-3-9)19(17,18)16-13-7-4-10(15)8-12(13)14/h2-8,16H,1H3
InChIKeyFDVRVTLILGSTHQ-UHFFFAOYSA-N
XLogP4.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.66
LogP ≤ 54.05
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-(2-bromo-4-iodophenyl)-4-methylbenzenesulfonamide
CID 114259559
3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide
CID 107605493
N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 107606873
4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide
CID 114257249
N-[4-iodo-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169370005
N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106006523
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 3637630
N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 47364015
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 62145281

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide (CID 39875442) is N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(I)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide?
The InChIKey is FDVRVTLILGSTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClINO2S/c1-9-2-5-11(6-3-9)19(17,18)16-13-7-4-10(15)8-12(13)14/h2-8,16H,1H3.
What are the key properties of N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide?
N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide has a molecular weight of 407.66 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 39875442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).