3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide

C16H18N2O3S — CID 18084674

IUPAC3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C16H18N2O3S/c1-11(2)12-6-8-15(9-7-12)22(20,21)18-14-5-3-4-13(10-14)16(17)19/h3-11,18H,1-2H3,(H2,17,19)
InChIKeyGPNGKVBHKINLAS-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.71
Rot. Bonds5

About 3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide

3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide (PubChem CID 18084674) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
PubChem CID18084674
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C16H18N2O3S/c1-11(2)12-6-8-15(9-7-12)22(20,21)18-14-5-3-4-13(10-14)16(17)19/h3-11,18H,1-2H3,(H2,17,19)
InChIKeyGPNGKVBHKINLAS-UHFFFAOYSA-N
XLogP2.71
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 8823779
3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]benzamide
CID 3874725
3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18084662
methyl 3-[(4-butan-2-ylphenyl)sulfonylamino]benzoate
CID 22774690
3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
CID 61053533
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3860471
5-[(3-carbamoylphenyl)sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
CID 53283048
4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide
CID 18286126
dipropan-2-yl 5-[(4-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773039
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
3-[(4-methylphenyl)sulfonylamino]benzenecarbothioamide
CID 29047104
3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132664714

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide?
The IUPAC name of 3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide (CID 18084674) is 3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide is CC(C)c1ccc(S(=O)(=O)Nc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide?
The InChIKey is GPNGKVBHKINLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11(2)12-6-8-15(9-7-12)22(20,21)18-14-5-3-4-13(10-14)16(17)19/h3-11,18H,1-2H3,(H2,17,19).
What are the key properties of 3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide?
3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide has a molecular weight of 318.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 18084674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).