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

C10H17N3O3S — CID 65375173

IUPACN-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESCCCCCNC(=O)c1cc(S(N)(=O)=O)c[nH]1
InChIInChI=1S/C10H17N3O3S/c1-2-3-4-5-12-10(14)9-6-8(7-13-9)17(11,15)16/h6-7,13H,2-5H2,1H3,(H,12,14)(H2,11,15,16)
InChIKeySUVVCIWGTPIXHZ-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.58
Rot. Bonds6

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

N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide (PubChem CID 65375173) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
PubChem CID65375173
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESCCCCCNC(=O)c1cc(S(N)(=O)=O)c[nH]1
InChIInChI=1S/C10H17N3O3S/c1-2-3-4-5-12-10(14)9-6-8(7-13-9)17(11,15)16/h6-7,13H,2-5H2,1H3,(H,12,14)(H2,11,15,16)
InChIKeySUVVCIWGTPIXHZ-UHFFFAOYSA-N
XLogP0.58
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375918
5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367021
N-butyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106265
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
N-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388033
3-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65375754
N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65380794
N-hexyl-3-methyl-5-sulfamoylbenzamide
CID 65380984
3-fluoro-N-hexyl-5-sulfamoylbenzamide
CID 65379977
N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388360

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide (CID 65375173) is N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide is CCCCCNC(=O)c1cc(S(N)(=O)=O)c[nH]1.
What is the InChIKey of N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The InChIKey is SUVVCIWGTPIXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-2-3-4-5-12-10(14)9-6-8(7-13-9)17(11,15)16/h6-7,13H,2-5H2,1H3,(H,12,14)(H2,11,15,16).
What are the key properties of N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide?
N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 65375173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).