4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide

C13H18F2N2O2S — CID 106060068

IUPAC4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCNC1CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O2S/c14-12-6-5-11(9-13(12)15)17-20(18,19)8-2-1-7-16-10-3-4-10/h5-6,9-10,16-17H,1-4,7-8H2
InChIKeyMJJHNXBMEVBGJQ-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.24
Rot. Bonds8

About 4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide

4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide (PubChem CID 106060068) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide
PubChem CID106060068
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCNC1CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O2S/c14-12-6-5-11(9-13(12)15)17-20(18,19)8-2-1-7-16-10-3-4-10/h5-6,9-10,16-17H,1-4,7-8H2
InChIKeyMJJHNXBMEVBGJQ-UHFFFAOYSA-N
XLogP2.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.24
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-(3-chloro-5-fluorophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
CID 106087948
N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106061607
4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide
CID 106059988
4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide
CID 106072696
N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106026055
N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106031181
N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
CID 106061301
N-(3-bromo-5-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106089298
N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106073353
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106029188
2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide
CID 114141631
N-(3-fluoro-4-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 107478266

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide (CID 106060068) is 4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide is O=S(=O)(CCCCNC1CC1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide?
The InChIKey is MJJHNXBMEVBGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c14-12-6-5-11(9-13(12)15)17-20(18,19)8-2-1-7-16-10-3-4-10/h5-6,9-10,16-17H,1-4,7-8H2.
What are the key properties of 4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide?
4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide has a molecular weight of 304.36 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide is sourced from PubChem (CID 106060068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).