4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide

C9H12ClFN2O2S — CID 103080603

IUPAC4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1ccc(F)nc1
InChIInChI=1S/C9H12ClFN2O2S/c10-5-1-2-6-16(14,15)13-8-3-4-9(11)12-7-8/h3-4,7,13H,1-2,5-6H2
InChIKeyCQGIWUGCBYJFKX-UHFFFAOYSA-N
MW266.72 g/mol
LogP1.98
Rot. Bonds6

About 4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide

4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide (PubChem CID 103080603) has the molecular formula C9H12ClFN2O2S and a molecular weight of 266.72 g/mol. Its IUPAC name is 4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide
PubChem CID103080603
Molecular FormulaC9H12ClFN2O2S
Molecular Weight266.72 g/mol
Exact Mass266.03
IUPAC Name4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1ccc(F)nc1
InChIInChI=1S/C9H12ClFN2O2S/c10-5-1-2-6-16(14,15)13-8-3-4-9(11)12-7-8/h3-4,7,13H,1-2,5-6H2
InChIKeyCQGIWUGCBYJFKX-UHFFFAOYSA-N
XLogP1.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide
CID 116815598
4-chloro-N-(3,4,5-trifluorophenyl)butane-1-sulfonamide
CID 116816137
4-chloro-N-[4-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 116815007
4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide
CID 116815594
4-chloro-N-phenylbutane-1-sulfonamide
CID 116814759
N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide
CID 116816273
4-chloro-N-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide
CID 116816251
4-(4-chlorobutylsulfonylamino)benzenesulfonamide
CID 3018484
4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide
CID 116814969
3-chloro-N-[6-(diethylamino)-3-pyridinyl]propane-1-sulfonamide
CID 54877697
3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide
CID 65482273
4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide
CID 116815122

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide (CID 103080603) is 4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide is O=S(=O)(CCCCCl)Nc1ccc(F)nc1.
What is the InChIKey of 4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide?
The InChIKey is CQGIWUGCBYJFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2O2S/c10-5-1-2-6-16(14,15)13-8-3-4-9(11)12-7-8/h3-4,7,13H,1-2,5-6H2.
What are the key properties of 4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide?
4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide has a molecular weight of 266.72 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide is sourced from PubChem (CID 103080603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).