(2S)-2-[(4-sulfamoylphenyl)sulfonylamino]propanamide

C9H13N3O5S2 — CID 94501214

IUPAC(2S)-2-[(4-sulfamoylphenyl)sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(N)=O
InChIInChI=1S/C9H13N3O5S2/c1-6(9(10)13)12-19(16,17)8-4-2-7(3-5-8)18(11,14)15/h2-6,12H,1H3,(H2,10,13)(H2,11,14,15)/t6-/m0/s1
InChIKeyZIJBSOFPNYACBB-LURJTMIESA-N
MW307.35 g/mol
LogP-1.51
Rot. Bonds5

About (2S)-2-[(4-sulfamoylphenyl)sulfonylamino]propanamide

(2S)-2-[(4-sulfamoylphenyl)sulfonylamino]propanamide (PubChem CID 94501214) has the molecular formula C9H13N3O5S2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (2S)-2-[(4-sulfamoylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-sulfamoylphenyl)sulfonylamino]propanamide
PubChem CID94501214
Molecular FormulaC9H13N3O5S2
Molecular Weight307.35 g/mol
Exact Mass307.03
IUPAC Name(2S)-2-[(4-sulfamoylphenyl)sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(N)=O
InChIInChI=1S/C9H13N3O5S2/c1-6(9(10)13)12-19(16,17)8-4-2-7(3-5-8)18(11,14)15/h2-6,12H,1H3,(H2,10,13)(H2,11,14,15)/t6-/m0/s1
InChIKeyZIJBSOFPNYACBB-LURJTMIESA-N
XLogP-1.51
TPSA149.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(benzenesulfonamido)propanamide
CID 970705
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide
CID 124549106
(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 6933874
(2R)-2-[[4-(2-ethoxyethoxy)phenyl]sulfonylamino]propanamide
CID 94799409
2-[(4-carbamothioyl-3-methylphenyl)sulfonylamino]propanamide
CID 106920045
aminourea;4-methylbenzenesulfonamide
CID 174801132
4-N-(4-methylpentan-2-yl)benzene-1,4-disulfonamide
CID 43372522
(2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid;hydrate
CID 131749441
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
methyl 2-[(4-tert-butylphenyl)sulfonylamino]propanoate
CID 60626142
methyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate
CID 87040237
2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanamide
CID 63239306

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-sulfamoylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-2-[(4-sulfamoylphenyl)sulfonylamino]propanamide (CID 94501214) is (2S)-2-[(4-sulfamoylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-2-[(4-sulfamoylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-2-[(4-sulfamoylphenyl)sulfonylamino]propanamide is C[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(N)=O.
What is the InChIKey of (2S)-2-[(4-sulfamoylphenyl)sulfonylamino]propanamide?
The InChIKey is ZIJBSOFPNYACBB-LURJTMIESA-N. The full InChI is InChI=1S/C9H13N3O5S2/c1-6(9(10)13)12-19(16,17)8-4-2-7(3-5-8)18(11,14)15/h2-6,12H,1H3,(H2,10,13)(H2,11,14,15)/t6-/m0/s1.
What are the key properties of (2S)-2-[(4-sulfamoylphenyl)sulfonylamino]propanamide?
(2S)-2-[(4-sulfamoylphenyl)sulfonylamino]propanamide has a molecular weight of 307.35 g/mol, XLogP of -1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-sulfamoylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 94501214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).