4-chloro-1-ethyl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide

C10H16ClN3O3S — CID 61132430

IUPAC4-chloro-1-ethyl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C10H16ClN3O3S/c1-2-14-7-8(11)6-9(14)10(15)13-4-3-5-18(12,16)17/h6-7H,2-5H2,1H3,(H,13,15)(H2,12,16,17)
InChIKeyYQYDTJATOZNDLZ-UHFFFAOYSA-N
MW293.78 g/mol
LogP0.57
Rot. Bonds6

About 4-chloro-1-ethyl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide

4-chloro-1-ethyl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide (PubChem CID 61132430) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide
PubChem CID61132430
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Name4-chloro-1-ethyl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C10H16ClN3O3S/c1-2-14-7-8(11)6-9(14)10(15)13-4-3-5-18(12,16)17/h6-7H,2-5H2,1H3,(H,13,15)(H2,12,16,17)
InChIKeyYQYDTJATOZNDLZ-UHFFFAOYSA-N
XLogP0.57
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 62267384
4-chloro-1-methyl-N-(2-sulfamoylethyl)pyrrole-2-carboxamide
CID 61066534
4-bromo-1-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyrrole-2-carboxamide
CID 103636124
4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide
CID 114153098
4-bromo-1-propan-2-yl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide
CID 61132628
4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 43639802
N-(5-amino-5-oxopentyl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 113347877
4-chloro-1-ethyl-N-[2-methyl-3-(methylamino)propyl]pyrrole-2-carboxamide
CID 113282529
1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610913
2-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220669
4-chloro-N-hex-5-ynyl-1-propylpyrrole-2-carboxamide
CID 106209755
4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide
CID 47337136

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide (CID 61132430) is 4-chloro-1-ethyl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide is CCn1cc(Cl)cc1C(=O)NCCCS(N)(=O)=O.
What is the InChIKey of 4-chloro-1-ethyl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide?
The InChIKey is YQYDTJATOZNDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S/c1-2-14-7-8(11)6-9(14)10(15)13-4-3-5-18(12,16)17/h6-7H,2-5H2,1H3,(H,13,15)(H2,12,16,17).
What are the key properties of 4-chloro-1-ethyl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide?
4-chloro-1-ethyl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide has a molecular weight of 293.78 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 61132430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).