N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide

C8H13N3O3S — CID 65375918

IUPACN-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESCCCNC(=O)c1cc(S(N)(=O)=O)c[nH]1
InChIInChI=1S/C8H13N3O3S/c1-2-3-10-8(12)7-4-6(5-11-7)15(9,13)14/h4-5,11H,2-3H2,1H3,(H,10,12)(H2,9,13,14)
InChIKeyVSHPOKUSDBHWKE-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.20
Rot. Bonds4

About N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide

N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide (PubChem CID 65375918) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
PubChem CID65375918
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC NameN-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESCCCNC(=O)c1cc(S(N)(=O)=O)c[nH]1
InChIInChI=1S/C8H13N3O3S/c1-2-3-10-8(12)7-4-6(5-11-7)15(9,13)14/h4-5,11H,2-3H2,1H3,(H,10,12)(H2,9,13,14)
InChIKeyVSHPOKUSDBHWKE-UHFFFAOYSA-N
XLogP-0.20
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375173
N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 102915536
N-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 115408908
4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 65386759
5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367021
4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide
CID 18104892
N-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388033
N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388360
N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65381999
N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65380794
N-(2-methylcyclopropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65386729
5-(2-methylsulfonylethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367080

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide (CID 65375918) is N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide is CCCNC(=O)c1cc(S(N)(=O)=O)c[nH]1.
What is the InChIKey of N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The InChIKey is VSHPOKUSDBHWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-2-3-10-8(12)7-4-6(5-11-7)15(9,13)14/h4-5,11H,2-3H2,1H3,(H,10,12)(H2,9,13,14).
What are the key properties of N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide?
N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide has a molecular weight of 231.28 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 65375918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).