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

C15H16N2O5S2 — CID 164613992

IUPAC2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16N2O5S2/c1-11(23(19,20)13-5-3-2-4-6-13)15(18)17-12-7-9-14(10-8-12)24(16,21)22/h2-11H,1H3,(H,17,18)(H2,16,21,22)
InChIKeyIEUNLLQUIVRACN-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.13
Rot. Bonds5

About 2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide

2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 164613992) has the molecular formula C15H16N2O5S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
PubChem CID164613992
Molecular FormulaC15H16N2O5S2
Molecular Weight368.44 g/mol
Exact Mass368.05
IUPAC Name2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16N2O5S2/c1-11(23(19,20)13-5-3-2-4-6-13)15(18)17-12-7-9-14(10-8-12)24(16,21)22/h2-11H,1H3,(H,17,18)(H2,16,21,22)
InChIKeyIEUNLLQUIVRACN-UHFFFAOYSA-N
XLogP1.13
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide
CID 162395521
(2S)-2-benzylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2647848
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate
CID 7833590
(2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide
CID 94883529
2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide
CID 79195981
(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213
2-(1-anilino-1-oxopropan-2-yl)sulfonylpropanoic acid
CID 43117074
2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42996416
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42911835
(2R)-2-(naphthalen-2-ylamino)-N-(4-sulfamoylphenyl)propanamide
CID 7775072
benzenesulfonamide;2-methylpropane
CID 157350693
2,2-bis(benzenesulfonyl)-N-phenylacetamide
CID 17339954

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide (CID 164613992) is 2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide is CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is IEUNLLQUIVRACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S2/c1-11(23(19,20)13-5-3-2-4-6-13)15(18)17-12-7-9-14(10-8-12)24(16,21)22/h2-11H,1H3,(H,17,18)(H2,16,21,22).
What are the key properties of 2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide?
2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 368.44 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 164613992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).