5-bromo-N-methylsulfonyl-1H-pyrrole-3-carboxamide

C6H7BrN2O3S — CID 130678634

IUPAC5-bromo-N-methylsulfonyl-1H-pyrrole-3-carboxamide
SMILESCS(=O)(=O)NC(=O)c1c[nH]c(Br)c1
InChIInChI=1S/C6H7BrN2O3S/c1-13(11,12)9-6(10)4-2-5(7)8-3-4/h2-3,8H,1H3,(H,9,10)
InChIKeyPFMZCWNQOMLDBT-UHFFFAOYSA-N
MW267.10 g/mol
LogP0.47
Rot. Bonds2

About 5-bromo-N-methylsulfonyl-1H-pyrrole-3-carboxamide

5-bromo-N-methylsulfonyl-1H-pyrrole-3-carboxamide (PubChem CID 130678634) has the molecular formula C6H7BrN2O3S and a molecular weight of 267.10 g/mol. Its IUPAC name is 5-bromo-N-methylsulfonyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methylsulfonyl-1H-pyrrole-3-carboxamide
PubChem CID130678634
Molecular FormulaC6H7BrN2O3S
Molecular Weight267.10 g/mol
Exact Mass265.94
IUPAC Name5-bromo-N-methylsulfonyl-1H-pyrrole-3-carboxamide
SMILESCS(=O)(=O)NC(=O)c1c[nH]c(Br)c1
InChIInChI=1S/C6H7BrN2O3S/c1-13(11,12)9-6(10)4-2-5(7)8-3-4/h2-3,8H,1H3,(H,9,10)
InChIKeyPFMZCWNQOMLDBT-UHFFFAOYSA-N
XLogP0.47
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.10
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methylsulfonyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-bromo-N-methylsulfonyl-1H-pyrrole-3-carboxamide (CID 130678634) is 5-bromo-N-methylsulfonyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methylsulfonyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-bromo-N-methylsulfonyl-1H-pyrrole-3-carboxamide is CS(=O)(=O)NC(=O)c1c[nH]c(Br)c1.
What is the InChIKey of 5-bromo-N-methylsulfonyl-1H-pyrrole-3-carboxamide?
The InChIKey is PFMZCWNQOMLDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O3S/c1-13(11,12)9-6(10)4-2-5(7)8-3-4/h2-3,8H,1H3,(H,9,10).
What are the key properties of 5-bromo-N-methylsulfonyl-1H-pyrrole-3-carboxamide?
5-bromo-N-methylsulfonyl-1H-pyrrole-3-carboxamide has a molecular weight of 267.10 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methylsulfonyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 130678634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).