N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrrole-3-sulfonamide

C9H8Cl2N4O2S — CID 114049128

IUPACN-(5,6-dichloropyrimidin-4-yl)-1-methylpyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)Nc2ncnc(Cl)c2Cl)c1
InChIInChI=1S/C9H8Cl2N4O2S/c1-15-3-2-6(4-15)18(16,17)14-9-7(10)8(11)12-5-13-9/h2-5H,1H3,(H,12,13,14)
InChIKeyATXIDMHNVRFDRM-UHFFFAOYSA-N
MW307.16 g/mol
LogP1.92
Rot. Bonds3

About N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrrole-3-sulfonamide

N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrrole-3-sulfonamide (PubChem CID 114049128) has the molecular formula C9H8Cl2N4O2S and a molecular weight of 307.16 g/mol. Its IUPAC name is N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(5,6-dichloropyrimidin-4-yl)-1-methylpyrrole-3-sulfonamide
PubChem CID114049128
Molecular FormulaC9H8Cl2N4O2S
Molecular Weight307.16 g/mol
Exact Mass305.97
IUPAC NameN-(5,6-dichloropyrimidin-4-yl)-1-methylpyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)Nc2ncnc(Cl)c2Cl)c1
InChIInChI=1S/C9H8Cl2N4O2S/c1-15-3-2-6(4-15)18(16,17)14-9-7(10)8(11)12-5-13-9/h2-5H,1H3,(H,12,13,14)
InChIKeyATXIDMHNVRFDRM-UHFFFAOYSA-N
XLogP1.92
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrrole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrrole-3-sulfonamide (CID 114049128) is N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrrole-3-sulfonamide is Cn1ccc(S(=O)(=O)Nc2ncnc(Cl)c2Cl)c1.
What is the InChIKey of N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is ATXIDMHNVRFDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4O2S/c1-15-3-2-6(4-15)18(16,17)14-9-7(10)8(11)12-5-13-9/h2-5H,1H3,(H,12,13,14).
What are the key properties of N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrrole-3-sulfonamide?
N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 307.16 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 114049128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).