N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide

C9H15N3O5S2 — CID 65380794

IUPACN-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)c1cc(S(N)(=O)=O)c[nH]1
InChIInChI=1S/C9H15N3O5S2/c1-6(5-18(2,14)15)12-9(13)8-3-7(4-11-8)19(10,16)17/h3-4,6,11H,5H2,1-2H3,(H,12,13)(H2,10,16,17)
InChIKeyLMGLBXCCNWWHNG-UHFFFAOYSA-N
MW309.37 g/mol
LogP-1.17
Rot. Bonds5

About N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide

N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide (PubChem CID 65380794) has the molecular formula C9H15N3O5S2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
PubChem CID65380794
Molecular FormulaC9H15N3O5S2
Molecular Weight309.37 g/mol
Exact Mass309.05
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)c1cc(S(N)(=O)=O)c[nH]1
InChIInChI=1S/C9H15N3O5S2/c1-6(5-18(2,14)15)12-9(13)8-3-7(4-11-8)19(10,16)17/h3-4,6,11H,5H2,1-2H3,(H,12,13)(H2,10,16,17)
InChIKeyLMGLBXCCNWWHNG-UHFFFAOYSA-N
XLogP-1.17
TPSA139.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388360
N-(1-cyclopropylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65387153
N-(1-cyclopropylethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65386253
N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 102915536
N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375918
N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375173
5-(5-methylhexan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367479
N-(1-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388887
N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65381999
N-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 115408908
N-(1-cyclohexylpropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65387692
N-[(3E)-penta-1,3-dien-3-yl]-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 126493606

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide (CID 65380794) is N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide is CC(CS(C)(=O)=O)NC(=O)c1cc(S(N)(=O)=O)c[nH]1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The InChIKey is LMGLBXCCNWWHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5S2/c1-6(5-18(2,14)15)12-9(13)8-3-7(4-11-8)19(10,16)17/h3-4,6,11H,5H2,1-2H3,(H,12,13)(H2,10,16,17).
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of -1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 65380794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).