N-phenyl-4-propan-2-ylsulfonylbenzamide

C16H17NO3S — CID 41148668

IUPACN-phenyl-4-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-12(2)21(19,20)15-10-8-13(9-11-15)16(18)17-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,17,18)
InChIKeyVEGBJQXNKIEJJT-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.12
Rot. Bonds4

About N-phenyl-4-propan-2-ylsulfonylbenzamide

N-phenyl-4-propan-2-ylsulfonylbenzamide (PubChem CID 41148668) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-phenyl-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-phenyl-4-propan-2-ylsulfonylbenzamide
PubChem CID41148668
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-phenyl-4-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-12(2)21(19,20)15-10-8-13(9-11-15)16(18)17-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,17,18)
InChIKeyVEGBJQXNKIEJJT-UHFFFAOYSA-N
XLogP3.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148675
N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148685
3-[4-[(4-propan-2-ylsulfonylbenzoyl)amino]phenyl]propanoic acid
CID 119252260
3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778734
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778716
N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide
CID 41148682
propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate
CID 55755393
4-methylsulfonyl-N-(4-phenylphenyl)benzamide
CID 7998967
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
N-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide
CID 55754649

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-phenyl-4-propan-2-ylsulfonylbenzamide (CID 41148668) is N-phenyl-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-phenyl-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-phenyl-4-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-phenyl-4-propan-2-ylsulfonylbenzamide?
The InChIKey is VEGBJQXNKIEJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-12(2)21(19,20)15-10-8-13(9-11-15)16(18)17-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,17,18).
What are the key properties of N-phenyl-4-propan-2-ylsulfonylbenzamide?
N-phenyl-4-propan-2-ylsulfonylbenzamide has a molecular weight of 303.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 41148668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).