5-carbamoyl-1-methylpyrrole-3-sulfonyl chloride

C6H7ClN2O3S — CID 42948514

IUPAC5-carbamoyl-1-methylpyrrole-3-sulfonyl chloride
SMILESCn1cc(S(=O)(=O)Cl)cc1C(N)=O
InChIInChI=1S/C6H7ClN2O3S/c1-9-3-4(13(7,11)12)2-5(9)6(8)10/h2-3H,1H3,(H2,8,10)
InChIKeyAXBOCAUMNPHCFS-UHFFFAOYSA-N
MW222.65 g/mol
LogP0.05
Rot. Bonds2

About 5-carbamoyl-1-methylpyrrole-3-sulfonyl chloride

5-carbamoyl-1-methylpyrrole-3-sulfonyl chloride (PubChem CID 42948514) has the molecular formula C6H7ClN2O3S and a molecular weight of 222.65 g/mol. Its IUPAC name is 5-carbamoyl-1-methylpyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-carbamoyl-1-methylpyrrole-3-sulfonyl chloride
PubChem CID42948514
Molecular FormulaC6H7ClN2O3S
Molecular Weight222.65 g/mol
Exact Mass221.99
IUPAC Name5-carbamoyl-1-methylpyrrole-3-sulfonyl chloride
SMILESCn1cc(S(=O)(=O)Cl)cc1C(N)=O
InChIInChI=1S/C6H7ClN2O3S/c1-9-3-4(13(7,11)12)2-5(9)6(8)10/h2-3H,1H3,(H2,8,10)
InChIKeyAXBOCAUMNPHCFS-UHFFFAOYSA-N
XLogP0.05
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-carbamoyl-1-methylpyrrole-3-sulfonyl chloride?
The IUPAC name of 5-carbamoyl-1-methylpyrrole-3-sulfonyl chloride (CID 42948514) is 5-carbamoyl-1-methylpyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-carbamoyl-1-methylpyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-carbamoyl-1-methylpyrrole-3-sulfonyl chloride is Cn1cc(S(=O)(=O)Cl)cc1C(N)=O.
What is the InChIKey of 5-carbamoyl-1-methylpyrrole-3-sulfonyl chloride?
The InChIKey is AXBOCAUMNPHCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O3S/c1-9-3-4(13(7,11)12)2-5(9)6(8)10/h2-3H,1H3,(H2,8,10).
What are the key properties of 5-carbamoyl-1-methylpyrrole-3-sulfonyl chloride?
5-carbamoyl-1-methylpyrrole-3-sulfonyl chloride has a molecular weight of 222.65 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-1-methylpyrrole-3-sulfonyl chloride is sourced from PubChem (CID 42948514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).