4,5-dichloro-N-(2-sulfamoylethyl)-1H-pyrrole-2-carboxamide

C7H9Cl2N3O3S — CID 61131054

IUPAC4,5-dichloro-N-(2-sulfamoylethyl)-1H-pyrrole-2-carboxamide
SMILESNS(=O)(=O)CCNC(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C7H9Cl2N3O3S/c8-4-3-5(12-6(4)9)7(13)11-1-2-16(10,14)15/h3,12H,1-2H2,(H,11,13)(H2,10,14,15)
InChIKeyZVHSSSNYIOQGQS-UHFFFAOYSA-N
MW286.14 g/mol
LogP0.34
Rot. Bonds4

About 4,5-dichloro-N-(2-sulfamoylethyl)-1H-pyrrole-2-carboxamide

4,5-dichloro-N-(2-sulfamoylethyl)-1H-pyrrole-2-carboxamide (PubChem CID 61131054) has the molecular formula C7H9Cl2N3O3S and a molecular weight of 286.14 g/mol. Its IUPAC name is 4,5-dichloro-N-(2-sulfamoylethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(2-sulfamoylethyl)-1H-pyrrole-2-carboxamide
PubChem CID61131054
Molecular FormulaC7H9Cl2N3O3S
Molecular Weight286.14 g/mol
Exact Mass284.97
IUPAC Name4,5-dichloro-N-(2-sulfamoylethyl)-1H-pyrrole-2-carboxamide
SMILESNS(=O)(=O)CCNC(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C7H9Cl2N3O3S/c8-4-3-5(12-6(4)9)7(13)11-1-2-16(10,14)15/h3,12H,1-2H2,(H,11,13)(H2,10,14,15)
InChIKeyZVHSSSNYIOQGQS-UHFFFAOYSA-N
XLogP0.34
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-sulfamoylethyl)-1H-pyrazole-5-carboxamide
CID 61067022
N-(2-amino-2-ethylbutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 81484379
4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide
CID 78833399
6-oxo-N-(2-sulfamoylethyl)-1H-pyridine-2-carboxamide
CID 107261803
N-[[4-(aminomethyl)phenyl]methyl]-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 81090669
N-(2-amino-3-hydroxybutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 64541676
4,5-dichloro-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 31303037
3-[2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]ethyl]benzoic acid
CID 63794751
4,5-dichloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 65118932
4,5-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 78833609
4-chloro-1-methyl-N-(2-sulfamoylethyl)pyrrole-2-carboxamide
CID 61066534
4-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 81063917

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(2-sulfamoylethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(2-sulfamoylethyl)-1H-pyrrole-2-carboxamide (CID 61131054) is 4,5-dichloro-N-(2-sulfamoylethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(2-sulfamoylethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(2-sulfamoylethyl)-1H-pyrrole-2-carboxamide is NS(=O)(=O)CCNC(=O)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 4,5-dichloro-N-(2-sulfamoylethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is ZVHSSSNYIOQGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3O3S/c8-4-3-5(12-6(4)9)7(13)11-1-2-16(10,14)15/h3,12H,1-2H2,(H,11,13)(H2,10,14,15).
What are the key properties of 4,5-dichloro-N-(2-sulfamoylethyl)-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-(2-sulfamoylethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 286.14 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(2-sulfamoylethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61131054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).