5-(2-methylsulfonylethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride

C8H11ClN2O5S2 — CID 65367080

IUPAC5-(2-methylsulfonylethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
SMILESCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1
InChIInChI=1S/C8H11ClN2O5S2/c1-17(13,14)3-2-10-8(12)7-4-6(5-11-7)18(9,15)16/h4-5,11H,2-3H2,1H3,(H,10,12)
InChIKeyUVIGOHLXMPYNIC-UHFFFAOYSA-N
MW314.77 g/mol
LogP-0.28
Rot. Bonds5

About 5-(2-methylsulfonylethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride

5-(2-methylsulfonylethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride (PubChem CID 65367080) has the molecular formula C8H11ClN2O5S2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 5-(2-methylsulfonylethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(2-methylsulfonylethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
PubChem CID65367080
Molecular FormulaC8H11ClN2O5S2
Molecular Weight314.77 g/mol
Exact Mass313.98
IUPAC Name5-(2-methylsulfonylethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
SMILESCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1
InChIInChI=1S/C8H11ClN2O5S2/c1-17(13,14)3-2-10-8(12)7-4-6(5-11-7)18(9,15)16/h4-5,11H,2-3H2,1H3,(H,10,12)
InChIKeyUVIGOHLXMPYNIC-UHFFFAOYSA-N
XLogP-0.28
TPSA113.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(pentylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367021
5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367465
4-bromo-N-(3-methylsulfonylpropyl)-1H-pyrrole-2-carboxamide
CID 55139504
N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375918
5-(5-methylhexan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367479
5-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-sulfonyl chloride
CID 107420999
5-(4-methoxybutan-2-ylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367433
N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375173
5-methyl-3-(2-methylsulfonylethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65370769
6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103696440
3,5-dichloro-N-(2-methylsulfonylethyl)benzamide
CID 47230479
N-(2-hydroxyethyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 43392938

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfonylethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride?
The IUPAC name of 5-(2-methylsulfonylethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride (CID 65367080) is 5-(2-methylsulfonylethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-(2-methylsulfonylethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-(2-methylsulfonylethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride is CS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)Cl)c[nH]1.
What is the InChIKey of 5-(2-methylsulfonylethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride?
The InChIKey is UVIGOHLXMPYNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O5S2/c1-17(13,14)3-2-10-8(12)7-4-6(5-11-7)18(9,15)16/h4-5,11H,2-3H2,1H3,(H,10,12).
What are the key properties of 5-(2-methylsulfonylethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride?
5-(2-methylsulfonylethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride has a molecular weight of 314.77 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfonylethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 65367080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).