4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide

C10H12ClF2NO2S — CID 116815122

IUPAC4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1ccc(F)cc1F
InChIInChI=1S/C10H12ClF2NO2S/c11-5-1-2-6-17(15,16)14-10-4-3-8(12)7-9(10)13/h3-4,7,14H,1-2,5-6H2
InChIKeyPYKOFQMKOQPMNV-UHFFFAOYSA-N
MW283.73 g/mol
LogP2.73
Rot. Bonds6

About 4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide

4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide (PubChem CID 116815122) has the molecular formula C10H12ClF2NO2S and a molecular weight of 283.73 g/mol. Its IUPAC name is 4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide
PubChem CID116815122
Molecular FormulaC10H12ClF2NO2S
Molecular Weight283.73 g/mol
Exact Mass283.02
IUPAC Name4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1ccc(F)cc1F
InChIInChI=1S/C10H12ClF2NO2S/c11-5-1-2-6-17(15,16)14-10-4-3-8(12)7-9(10)13/h3-4,7,14H,1-2,5-6H2
InChIKeyPYKOFQMKOQPMNV-UHFFFAOYSA-N
XLogP2.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 52.73
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-fluorophenyl)butane-1-sulfonamide
CID 116815061
N-(4-bromo-5-fluoro-2-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816604
4-chloro-N-(3,4,5-trifluorophenyl)butane-1-sulfonamide
CID 116816137
N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide
CID 116816273
4-chloro-N-[1-(2,4-difluorophenyl)ethyl]butane-1-sulfonamide
CID 116815561
4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide
CID 116815572
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-(6-fluoro-3-pyridinyl)butane-1-sulfonamide
CID 103080603
N-(4-fluoro-2-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 114132436
3-chloro-N-[1-(2,4-difluorophenyl)ethyl]propane-1-sulfonamide
CID 54877148

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide (CID 116815122) is 4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide is O=S(=O)(CCCCCl)Nc1ccc(F)cc1F.
What is the InChIKey of 4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide?
The InChIKey is PYKOFQMKOQPMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO2S/c11-5-1-2-6-17(15,16)14-10-4-3-8(12)7-9(10)13/h3-4,7,14H,1-2,5-6H2.
What are the key properties of 4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide?
4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide has a molecular weight of 283.73 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide is sourced from PubChem (CID 116815122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).