N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide

C11H16ClFN2O2S — CID 114142281

IUPACN-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1c(F)cccc1Cl
InChIInChI=1S/C11H16ClFN2O2S/c1-14-7-2-3-8-18(16,17)15-11-9(12)5-4-6-10(11)13/h4-6,14-15H,2-3,7-8H2,1H3
InChIKeyCKYJIZFSEMCESO-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.22
Rot. Bonds7

About N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide

N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide (PubChem CID 114142281) has the molecular formula C11H16ClFN2O2S and a molecular weight of 294.78 g/mol. Its IUPAC name is N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide
PubChem CID114142281
Molecular FormulaC11H16ClFN2O2S
Molecular Weight294.78 g/mol
Exact Mass294.06
IUPAC NameN-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1c(F)cccc1Cl
InChIInChI=1S/C11H16ClFN2O2S/c1-14-7-2-3-8-18(16,17)15-11-9(12)5-4-6-10(11)13/h4-6,14-15H,2-3,7-8H2,1H3
InChIKeyCKYJIZFSEMCESO-UHFFFAOYSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106083706
4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide
CID 106083654
N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106089645
N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 106030648
4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069515
N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106074571
N-(2-chloro-6-methylphenyl)-2-(methylamino)ethanesulfonamide
CID 66256869
N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 106066644
4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide
CID 106083705
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-(methylamino)butane-1-sulfonamide
CID 106066893
N-(2,6-difluorophenyl)propane-1-sulfonamide
CID 60640758
N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide
CID 107602659

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide?
The IUPAC name of N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide (CID 114142281) is N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide?
The canonical SMILES for N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide is CNCCCCS(=O)(=O)Nc1c(F)cccc1Cl.
What is the InChIKey of N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide?
The InChIKey is CKYJIZFSEMCESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O2S/c1-14-7-2-3-8-18(16,17)15-11-9(12)5-4-6-10(11)13/h4-6,14-15H,2-3,7-8H2,1H3.
What are the key properties of N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide?
N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide has a molecular weight of 294.78 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide is sourced from PubChem (CID 114142281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).