N-(4-benzoylphenyl)butane-1-sulfonamide

C17H19NO3S — CID 21486671

IUPACN-(4-benzoylphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-2-3-13-22(20,21)18-16-11-9-15(10-12-16)17(19)14-7-5-4-6-8-14/h4-12,18H,2-3,13H2,1H3
InChIKeyYPJAFEKEOIXZLW-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.46
Rot. Bonds7

About N-(4-benzoylphenyl)butane-1-sulfonamide

N-(4-benzoylphenyl)butane-1-sulfonamide (PubChem CID 21486671) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(4-benzoylphenyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-benzoylphenyl)butane-1-sulfonamide
PubChem CID21486671
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(4-benzoylphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-2-3-13-22(20,21)18-16-11-9-15(10-12-16)17(19)14-7-5-4-6-8-14/h4-12,18H,2-3,13H2,1H3
InChIKeyYPJAFEKEOIXZLW-UHFFFAOYSA-N
XLogP3.46
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 67849300
oxathiaziridine;bis(N-phenylbutane-1-sulfonamide)
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N-[4-(furan-2-carbonyl)phenyl]propane-1-sulfonamide
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methyl 2-[4-(butylsulfonylamino)anilino]benzoate
CID 112988467
N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119800492
N-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide
CID 112986795
N-[4-(3-chlorobenzoyl)phenyl]ethanesulfonamide
CID 43339100
5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822028
N-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide
CID 112982043
N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide
CID 112980309
N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide
CID 15040315

Frequently Asked Questions

What is the IUPAC name of N-(4-benzoylphenyl)butane-1-sulfonamide?
The IUPAC name of N-(4-benzoylphenyl)butane-1-sulfonamide (CID 21486671) is N-(4-benzoylphenyl)butane-1-sulfonamide.
What is the SMILES notation for N-(4-benzoylphenyl)butane-1-sulfonamide?
The canonical SMILES for N-(4-benzoylphenyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-benzoylphenyl)butane-1-sulfonamide?
The InChIKey is YPJAFEKEOIXZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-2-3-13-22(20,21)18-16-11-9-15(10-12-16)17(19)14-7-5-4-6-8-14/h4-12,18H,2-3,13H2,1H3.
What are the key properties of N-(4-benzoylphenyl)butane-1-sulfonamide?
N-(4-benzoylphenyl)butane-1-sulfonamide has a molecular weight of 317.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoylphenyl)butane-1-sulfonamide is sourced from PubChem (CID 21486671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).