N-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide

C10H10ClF3INO2S — CID 107606863

IUPACN-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1ccc(I)cc1Cl
InChIInChI=1S/C10H10ClF3INO2S/c11-8-6-7(15)2-3-9(8)16-19(17,18)5-1-4-10(12,13)14/h2-3,6,16H,1,4-5H2
InChIKeyOJFRIPGZNNPWHU-UHFFFAOYSA-N
MW427.61 g/mol
LogP4.03
Rot. Bonds5

About N-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 107606863) has the molecular formula C10H10ClF3INO2S and a molecular weight of 427.61 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID107606863
Molecular FormulaC10H10ClF3INO2S
Molecular Weight427.61 g/mol
Exact Mass426.91
IUPAC NameN-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1ccc(I)cc1Cl
InChIInChI=1S/C10H10ClF3INO2S/c11-8-6-7(15)2-3-9(8)16-19(17,18)5-1-4-10(12,13)14/h2-3,6,16H,1,4-5H2
InChIKeyOJFRIPGZNNPWHU-UHFFFAOYSA-N
XLogP4.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 54.03
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-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 103580529
N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide
CID 103729090
N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 103943751
4-chloro-2-(4,4,4-trifluorobutylsulfonylamino)benzoic acid
CID 83046870
3-fluoro-4-(4,4,4-trifluorobutylsulfonylamino)benzoic acid
CID 83047507
N-(2-bromo-5-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 112750103
2-(4,4,4-trifluorobutylsulfonylamino)benzenesulfonyl fluoride
CID 116814342
N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide
CID 64788344
N-(4-chloro-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 115968063
N-(5-bromo-2-hydroxyphenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059561
N-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016
4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide
CID 83057926

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 107606863) is N-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)Nc1ccc(I)cc1Cl.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is OJFRIPGZNNPWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3INO2S/c11-8-6-7(15)2-3-9(8)16-19(17,18)5-1-4-10(12,13)14/h2-3,6,16H,1,4-5H2.
What are the key properties of N-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 427.61 g/mol, XLogP of 4.03, 5 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)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 107606863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).