2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide

C16H18N2O5S2 — CID 162395521

IUPAC2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)C(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N2O5S2/c1-11-3-7-14(8-4-11)24(20,21)12(2)16(19)18-13-5-9-15(10-6-13)25(17,22)23/h3-10,12H,1-2H3,(H,18,19)(H2,17,22,23)
InChIKeyWIEVAFQHFJCKDN-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.44
Rot. Bonds5

About 2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide

2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide (PubChem CID 162395521) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide
PubChem CID162395521
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC Name2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)C(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N2O5S2/c1-11-3-7-14(8-4-11)24(20,21)12(2)16(19)18-13-5-9-15(10-6-13)25(17,22)23/h3-10,12H,1-2H3,(H,18,19)(H2,17,22,23)
InChIKeyWIEVAFQHFJCKDN-UHFFFAOYSA-N
XLogP1.44
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 164613992
(2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 7371830
2-(3,5-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42912015
[(S)-(4-methylphenyl)-phenylmethyl]-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]azanium
CID 9391984
(2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide
CID 94883529
2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide
CID 79195981
(2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 890882
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 7187453
(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-hydroxy-5-methylbenzoate
CID 16512111
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2,4-dimethylbenzoate
CID 7796078
2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42911852

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide (CID 162395521) is 2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide is Cc1ccc(S(=O)(=O)C(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is WIEVAFQHFJCKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-11-3-7-14(8-4-11)24(20,21)12(2)16(19)18-13-5-9-15(10-6-13)25(17,22)23/h3-10,12H,1-2H3,(H,18,19)(H2,17,22,23).
What are the key properties of 2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide?
2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 382.46 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 162395521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).