4-[(2-chloropyrimidin-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide

C10H10ClN5O3S — CID 116798901

IUPAC4-[(2-chloropyrimidin-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)Nc2ccnc(Cl)n2)cc1C(N)=O
InChIInChI=1S/C10H10ClN5O3S/c1-16-5-6(4-7(16)9(12)17)20(18,19)15-8-2-3-13-10(11)14-8/h2-5H,1H3,(H2,12,17)(H,13,14,15)
InChIKeyIBGXXKXWXOCGIX-UHFFFAOYSA-N
MW315.74 g/mol
LogP0.37
Rot. Bonds4

About 4-[(2-chloropyrimidin-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide

4-[(2-chloropyrimidin-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 116798901) has the molecular formula C10H10ClN5O3S and a molecular weight of 315.74 g/mol. Its IUPAC name is 4-[(2-chloropyrimidin-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[(2-chloropyrimidin-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide
PubChem CID116798901
Molecular FormulaC10H10ClN5O3S
Molecular Weight315.74 g/mol
Exact Mass315.02
IUPAC Name4-[(2-chloropyrimidin-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)Nc2ccnc(Cl)n2)cc1C(N)=O
InChIInChI=1S/C10H10ClN5O3S/c1-16-5-6(4-7(16)9(12)17)20(18,19)15-8-2-3-13-10(11)14-8/h2-5H,1H3,(H2,12,17)(H,13,14,15)
InChIKeyIBGXXKXWXOCGIX-UHFFFAOYSA-N
XLogP0.37
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloropyrimidin-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[(2-chloropyrimidin-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide (CID 116798901) is 4-[(2-chloropyrimidin-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[(2-chloropyrimidin-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[(2-chloropyrimidin-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)Nc2ccnc(Cl)n2)cc1C(N)=O.
What is the InChIKey of 4-[(2-chloropyrimidin-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is IBGXXKXWXOCGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O3S/c1-16-5-6(4-7(16)9(12)17)20(18,19)15-8-2-3-13-10(11)14-8/h2-5H,1H3,(H2,12,17)(H,13,14,15).
What are the key properties of 4-[(2-chloropyrimidin-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
4-[(2-chloropyrimidin-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 315.74 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloropyrimidin-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 116798901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).