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

C11H19N3O3S — CID 65388360

IUPACN-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESCC(C)CC(C)NC(=O)c1cc(S(N)(=O)=O)c[nH]1
InChIInChI=1S/C11H19N3O3S/c1-7(2)4-8(3)14-11(15)10-5-9(6-13-10)18(12,16)17/h5-8,13H,4H2,1-3H3,(H,14,15)(H2,12,16,17)
InChIKeyRRUSVSLEFGGZGG-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.83
Rot. Bonds5

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

N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide (PubChem CID 65388360) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
PubChem CID65388360
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESCC(C)CC(C)NC(=O)c1cc(S(N)(=O)=O)c[nH]1
InChIInChI=1S/C11H19N3O3S/c1-7(2)4-8(3)14-11(15)10-5-9(6-13-10)18(12,16)17/h5-8,13H,4H2,1-3H3,(H,14,15)(H2,12,16,17)
InChIKeyRRUSVSLEFGGZGG-UHFFFAOYSA-N
XLogP0.83
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65380794
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
5-(5-methylhexan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367479
N-(1-cyclohexylpropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65387692
N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375918
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
3-methylbutyl 4-sulfamoyl-1H-pyrrole-2-carboxylate
CID 65380855
5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367433

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide (CID 65388360) is N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide is CC(C)CC(C)NC(=O)c1cc(S(N)(=O)=O)c[nH]1.
What is the InChIKey of N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The InChIKey is RRUSVSLEFGGZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-7(2)4-8(3)14-11(15)10-5-9(6-13-10)18(12,16)17/h5-8,13H,4H2,1-3H3,(H,14,15)(H2,12,16,17).
What are the key properties of N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 65388360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).