5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride

C10H15ClN2O3S — CID 65367021

IUPAC5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
SMILESCCCCCNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1
InChIInChI=1S/C10H15ClN2O3S/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)
InChIKeyIEXIGZCGIWMVGD-UHFFFAOYSA-N
MW278.76 g/mol
LogP1.86
Rot. Bonds6

About 5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride

5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride (PubChem CID 65367021) has the molecular formula C10H15ClN2O3S and a molecular weight of 278.76 g/mol. Its IUPAC name is 5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
PubChem CID65367021
Molecular FormulaC10H15ClN2O3S
Molecular Weight278.76 g/mol
Exact Mass278.05
IUPAC Name5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
SMILESCCCCCNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1
InChIInChI=1S/C10H15ClN2O3S/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)
InChIKeyIEXIGZCGIWMVGD-UHFFFAOYSA-N
XLogP1.86
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375173
5-(2-methylsulfonylethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367080
N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375918
N-butyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106265
5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367465
4-(nonylcarbamoyl)benzenesulfonyl chloride
CID 110823481
1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65366972
4-fluoro-3-methyl-5-(pentylcarbamoyl)benzenesulfonyl chloride
CID 81478950
3-amino-N-pentyl-1H-pyrazole-5-carboxamide
CID 64525391
3-(hexylcarbamoyl)-4-methoxybenzenesulfonyl chloride
CID 65398804
5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367433
3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
CID 71346088

Frequently Asked Questions

What is the IUPAC name of 5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride?
The IUPAC name of 5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride (CID 65367021) is 5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride is CCCCCNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1.
What is the InChIKey of 5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride?
The InChIKey is IEXIGZCGIWMVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S/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).
What are the key properties of 5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride?
5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride has a molecular weight of 278.76 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 65367021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).