3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide

C10H12ClFINO2S — CID 79771397

IUPAC3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C10H12ClFINO2S/c1-7(5-11)6-17(15,16)14-10-3-2-8(12)4-9(10)13/h2-4,7,14H,5-6H2,1H3
InChIKeyGGLYRMICOJVPBP-UHFFFAOYSA-N
MW391.63 g/mol
LogP3.05
Rot. Bonds5

About 3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide

3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide (PubChem CID 79771397) has the molecular formula C10H12ClFINO2S and a molecular weight of 391.63 g/mol. Its IUPAC name is 3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide
PubChem CID79771397
Molecular FormulaC10H12ClFINO2S
Molecular Weight391.63 g/mol
Exact Mass390.93
IUPAC Name3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C10H12ClFINO2S/c1-7(5-11)6-17(15,16)14-10-3-2-8(12)4-9(10)13/h2-4,7,14H,5-6H2,1H3
InChIKeyGGLYRMICOJVPBP-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.63
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(3-chloro-2-methylpropyl)sulfonylamino]-5-fluorobenzoate
CID 79585945
N-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide
CID 82843139
3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide
CID 107629605
3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide
CID 79585905
N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide
CID 79767137
3-chloro-2-methyl-N-(2-propan-2-ylphenyl)propane-1-sulfonamide
CID 79580372
N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 79585550
3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpropane-1-sulfonamide
CID 79585941
3-chloro-N-(3-fluoro-4-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79585638
4-[(3-chloro-2-methylpropyl)sulfonylamino]-3-methylbenzoic acid
CID 79586212
4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide
CID 106071458
3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
CID 79585459

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide (CID 79771397) is 3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide is CC(CCl)CS(=O)(=O)Nc1ccc(F)cc1I.
What is the InChIKey of 3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide?
The InChIKey is GGLYRMICOJVPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFINO2S/c1-7(5-11)6-17(15,16)14-10-3-2-8(12)4-9(10)13/h2-4,7,14H,5-6H2,1H3.
What are the key properties of 3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide?
3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide has a molecular weight of 391.63 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79771397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).