4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide

C12H18FIN2O2S — CID 106071458

IUPAC4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C12H18FIN2O2S/c1-2-15-7-3-4-8-19(17,18)16-12-6-5-10(13)9-11(12)14/h5-6,9,15-16H,2-4,7-8H2,1H3
InChIKeyDLVSMAPIMVQJCI-UHFFFAOYSA-N
MW400.26 g/mol
LogP2.56
Rot. Bonds8

About 4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide

4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide (PubChem CID 106071458) has the molecular formula C12H18FIN2O2S and a molecular weight of 400.26 g/mol. Its IUPAC name is 4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide
PubChem CID106071458
Molecular FormulaC12H18FIN2O2S
Molecular Weight400.26 g/mol
Exact Mass400.01
IUPAC Name4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C12H18FIN2O2S/c1-2-15-7-3-4-8-19(17,18)16-12-6-5-10(13)9-11(12)14/h5-6,9,15-16H,2-4,7-8H2,1H3
InChIKeyDLVSMAPIMVQJCI-UHFFFAOYSA-N
XLogP2.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-fluorophenyl)-4-(propylamino)butane-1-sulfonamide
CID 106029185
4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069514
N-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide
CID 82843139
N-(4-fluoro-2-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 114132436
4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide
CID 106057705
N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)propane-1-sulfonamide
CID 106055202
3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide
CID 114258136
N-(4-bromo-3-fluorophenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106067072
N-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106058751
3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide
CID 79771397
4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide
CID 106057914
N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106047695

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide (CID 106071458) is 4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide is CCNCCCCS(=O)(=O)Nc1ccc(F)cc1I.
What is the InChIKey of 4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide?
The InChIKey is DLVSMAPIMVQJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FIN2O2S/c1-2-15-7-3-4-8-19(17,18)16-12-6-5-10(13)9-11(12)14/h5-6,9,15-16H,2-4,7-8H2,1H3.
What are the key properties of 4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide?
4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide has a molecular weight of 400.26 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide is sourced from PubChem (CID 106071458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).