2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide

C17H20N2O5S2 — CID 55678185

IUPAC2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C17H20N2O5S2/c1-2-11-25(21,22)16-6-4-3-5-15(16)17(20)19-14-9-7-13(8-10-14)12-26(18,23)24/h3-10H,2,11-12H2,1H3,(H,19,20)(H2,18,23,24)
InChIKeyUWAVCMUABLMESP-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.91
Rot. Bonds7

About 2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide

2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide (PubChem CID 55678185) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide
PubChem CID55678185
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Name2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C17H20N2O5S2/c1-2-11-25(21,22)16-6-4-3-5-15(16)17(20)19-14-9-7-13(8-10-14)12-26(18,23)24/h3-10H,2,11-12H2,1H3,(H,19,20)(H2,18,23,24)
InChIKeyUWAVCMUABLMESP-UHFFFAOYSA-N
XLogP1.91
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-propylsulfonylbenzamide
CID 17224883
propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate
CID 17224802
N-(4-ethylphenyl)-2-ethylsulfonylbenzamide
CID 16604948
N-[4-(propylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17225015
N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17224948
2-anilino-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 55616235
2-methyl-N-[4-(sulfamoylmethyl)phenyl]pyridine-3-carboxamide
CID 78950943
2-ethylsulfonyl-N-(4-methylphenyl)benzamide
CID 17414707
2-[(2-propylsulfonylbenzoyl)amino]benzamide
CID 17224890
2-benzylsulfonyl-N-(4-fluorophenyl)benzamide
CID 6457202
2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide
CID 9455909
2-(difluoromethoxy)-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 39977055

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide?
The IUPAC name of 2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide (CID 55678185) is 2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide?
The canonical SMILES for 2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide is CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(CS(N)(=O)=O)cc1.
What is the InChIKey of 2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide?
The InChIKey is UWAVCMUABLMESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-2-11-25(21,22)16-6-4-3-5-15(16)17(20)19-14-9-7-13(8-10-14)12-26(18,23)24/h3-10H,2,11-12H2,1H3,(H,19,20)(H2,18,23,24).
What are the key properties of 2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide?
2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide is sourced from PubChem (CID 55678185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).