4-butanoyl-N-phenylbenzenesulfonamide

C16H17NO3S — CID 82164605

IUPAC4-butanoyl-N-phenylbenzenesulfonamide
SMILESCCCC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-2-6-16(18)13-9-11-15(12-10-13)21(19,20)17-14-7-4-3-5-8-14/h3-5,7-12,17H,2,6H2,1H3
InChIKeyJYAZQGMCDRLDAE-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.47
Rot. Bonds6

About 4-butanoyl-N-phenylbenzenesulfonamide

4-butanoyl-N-phenylbenzenesulfonamide (PubChem CID 82164605) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-butanoyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-butanoyl-N-phenylbenzenesulfonamide
PubChem CID82164605
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name4-butanoyl-N-phenylbenzenesulfonamide
SMILESCCCC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-2-6-16(18)13-9-11-15(12-10-13)21(19,20)17-14-7-4-3-5-8-14/h3-5,7-12,17H,2,6H2,1H3
InChIKeyJYAZQGMCDRLDAE-UHFFFAOYSA-N
XLogP3.47
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-pentanoylphenyl)benzenesulfonamide
CID 4248853
N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide
CID 3727676
N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide
CID 5016299
N-butyl-4-(phenylsulfamoyl)benzamide
CID 18106255
4-(phenylsulfamoyl)benzoate
CID 6997297
2-[(4-butanoylphenyl)sulfonylamino]acetic acid
CID 82164610
4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide
CID 19594335
N-hexyl-4-(phenylsulfamoyl)benzamide
CID 32646547
4-ethylsulfonyl-N-phenylbenzenesulfonamide
CID 87026098
4-butanoyl-N-(2-hydroxypropyl)benzenesulfonamide
CID 82164615
1-phenylbutan-1-one
CID 10315
N-ethyl-N-(2-hydroxyethyl)-4-(phenylsulfamoyl)benzamide
CID 78796066

Frequently Asked Questions

What is the IUPAC name of 4-butanoyl-N-phenylbenzenesulfonamide?
The IUPAC name of 4-butanoyl-N-phenylbenzenesulfonamide (CID 82164605) is 4-butanoyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-butanoyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-butanoyl-N-phenylbenzenesulfonamide is CCCC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-butanoyl-N-phenylbenzenesulfonamide?
The InChIKey is JYAZQGMCDRLDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-2-6-16(18)13-9-11-15(12-10-13)21(19,20)17-14-7-4-3-5-8-14/h3-5,7-12,17H,2,6H2,1H3.
What are the key properties of 4-butanoyl-N-phenylbenzenesulfonamide?
4-butanoyl-N-phenylbenzenesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butanoyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 82164605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).