N-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide

C16H19FN2O2S — CID 112986795

IUPACN-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccccc2F)cc1
InChIInChI=1S/C16H19FN2O2S/c1-2-3-12-22(20,21)19-14-10-8-13(9-11-14)18-16-7-5-4-6-15(16)17/h4-11,18-19H,2-3,12H2,1H3
InChIKeyPXPDOVXTUQKYPX-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.11
Rot. Bonds7

About N-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide

N-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide (PubChem CID 112986795) has the molecular formula C16H19FN2O2S and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide
PubChem CID112986795
Molecular FormulaC16H19FN2O2S
Molecular Weight322.41 g/mol
Exact Mass322.12
IUPAC NameN-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccccc2F)cc1
InChIInChI=1S/C16H19FN2O2S/c1-2-3-12-22(20,21)19-14-10-8-13(9-11-14)18-16-7-5-4-6-15(16)17/h4-11,18-19H,2-3,12H2,1H3
InChIKeyPXPDOVXTUQKYPX-UHFFFAOYSA-N
XLogP4.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(butylsulfonylamino)anilino]benzoate
CID 112988467
N-(2-fluorophenyl)propane-1-sulfonamide
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N-[4-(3-fluoroanilino)phenyl]butane-1-sulfonamide
CID 112988982
N-(4-benzoylphenyl)butane-1-sulfonamide
CID 21486671
N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide
CID 112986998
N-[2-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 113093433
N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide
CID 112989699
N-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide
CID 112987807
N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide
CID 112987904
N-(2-aminophenyl)butane-1-sulfonamide
CID 16771337
oxathiaziridine;bis(N-phenylbutane-1-sulfonamide)
CID 175405925
N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
CID 113031365

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide?
The IUPAC name of N-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide (CID 112986795) is N-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(Nc2ccccc2F)cc1.
What is the InChIKey of N-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide?
The InChIKey is PXPDOVXTUQKYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-2-3-12-22(20,21)19-14-10-8-13(9-11-14)18-16-7-5-4-6-15(16)17/h4-11,18-19H,2-3,12H2,1H3.
What are the key properties of N-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide?
N-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide has a molecular weight of 322.41 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 112986795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).