4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide

C10H12Cl2FNO2S — CID 116815061

IUPAC4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1cc(Cl)ccc1F
InChIInChI=1S/C10H12Cl2FNO2S/c11-5-1-2-6-17(15,16)14-10-7-8(12)3-4-9(10)13/h3-4,7,14H,1-2,5-6H2
InChIKeyJHMKLBNBFJYXQZ-UHFFFAOYSA-N
MW300.18 g/mol
LogP3.24
Rot. Bonds6

About 4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide

4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide (PubChem CID 116815061) has the molecular formula C10H12Cl2FNO2S and a molecular weight of 300.18 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide
PubChem CID116815061
Molecular FormulaC10H12Cl2FNO2S
Molecular Weight300.18 g/mol
Exact Mass298.99
IUPAC Name4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1cc(Cl)ccc1F
InChIInChI=1S/C10H12Cl2FNO2S/c11-5-1-2-6-17(15,16)14-10-7-8(12)3-4-9(10)13/h3-4,7,14H,1-2,5-6H2
InChIKeyJHMKLBNBFJYXQZ-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(5-chloro-2-cyanophenyl)butane-1-sulfonamide
CID 116815564
4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide
CID 116815122
4-chloro-N-(3,4,5-trifluorophenyl)butane-1-sulfonamide
CID 116816137
N-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide
CID 107650897
N-(4-bromo-5-fluoro-2-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816604
N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide
CID 116816273
4-chloro-N-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide
CID 116816251
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735
2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide
CID 61472414
4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide
CID 116815572
N-(5-chloro-2-methylphenyl)butane-1-sulfonamide
CID 6466028
N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide
CID 5122438

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide (CID 116815061) is 4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide is O=S(=O)(CCCCCl)Nc1cc(Cl)ccc1F.
What is the InChIKey of 4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide?
The InChIKey is JHMKLBNBFJYXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2FNO2S/c11-5-1-2-6-17(15,16)14-10-7-8(12)3-4-9(10)13/h3-4,7,14H,1-2,5-6H2.
What are the key properties of 4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide?
4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide has a molecular weight of 300.18 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide is sourced from PubChem (CID 116815061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).