N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide

C14H14INO2S — CID 86078083

IUPACN-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(I)c(C)c2)cc1
InChIInChI=1S/C14H14INO2S/c1-10-3-6-13(7-4-10)19(17,18)16-12-5-8-14(15)11(2)9-12/h3-9,16H,1-2H3
InChIKeyVCAKFYNHOXLIED-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.71
Rot. Bonds3

About N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide

N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 86078083) has the molecular formula C14H14INO2S and a molecular weight of 387.24 g/mol. Its IUPAC name is N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID86078083
Molecular FormulaC14H14INO2S
Molecular Weight387.24 g/mol
Exact Mass386.98
IUPAC NameN-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(I)c(C)c2)cc1
InChIInChI=1S/C14H14INO2S/c1-10-3-6-13(7-4-10)19(17,18)16-12-5-8-14(15)11(2)9-12/h3-9,16H,1-2H3
InChIKeyVCAKFYNHOXLIED-UHFFFAOYSA-N
XLogP3.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.71
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-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 22772989
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-[(4-iodo-3-methylphenyl)sulfonylamino]benzoic acid
CID 71671368
4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen
CID 143550449
N-[3-(dimethylamino)-4-methylphenyl]-4-methylbenzenesulfonamide
CID 169371894
N-(4-iodo-3-methylphenyl)ethanesulfonamide
CID 57319537
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 1377807

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide (CID 86078083) is N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(I)c(C)c2)cc1.
What is the InChIKey of N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is VCAKFYNHOXLIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO2S/c1-10-3-6-13(7-4-10)19(17,18)16-12-5-8-14(15)11(2)9-12/h3-9,16H,1-2H3.
What are the key properties of N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide?
N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 387.24 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 86078083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).