3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide

C15H16N2O5S2 — CID 4285781

IUPAC3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H16N2O5S2/c16-24(21,22)14-8-6-12(7-9-14)17-15(18)10-11-23(19,20)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18)(H2,16,21,22)
InChIKeyXDXFTCHYIRIKFD-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.14
Rot. Bonds6

About 3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide

3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 4285781) has the molecular formula C15H16N2O5S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
PubChem CID4285781
Molecular FormulaC15H16N2O5S2
Molecular Weight368.44 g/mol
Exact Mass368.05
IUPAC Name3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H16N2O5S2/c16-24(21,22)14-8-6-12(7-9-14)17-15(18)10-11-23(19,20)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18)(H2,16,21,22)
InChIKeyXDXFTCHYIRIKFD-UHFFFAOYSA-N
XLogP1.14
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide
CID 7202615
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide
CID 17310169
3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide
CID 17310101
3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 3163464
3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164
4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide
CID 12954886
N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide
CID 43444138
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
(2-anilino-2-oxoethyl) 3-(4-acetamidophenyl)sulfonylpropanoate
CID 9067779
3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
CID 17310097

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide (CID 4285781) is 3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is XDXFTCHYIRIKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S2/c16-24(21,22)14-8-6-12(7-9-14)17-15(18)10-11-23(19,20)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18)(H2,16,21,22).
What are the key properties of 3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide?
3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 368.44 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 4285781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).