2-chloro-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide

C7H8ClF2N3O2S — CID 87129605

IUPAC2-chloro-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(NC(CF)CF)c1cnc(Cl)nc1
InChIInChI=1S/C7H8ClF2N3O2S/c8-7-11-3-6(4-12-7)16(14,15)13-5(1-9)2-10/h3-5,13H,1-2H2
InChIKeyAKHHGVHNNPRFTO-UHFFFAOYSA-N
MW271.68 g/mol
LogP0.72
Rot. Bonds5

About 2-chloro-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide

2-chloro-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide (PubChem CID 87129605) has the molecular formula C7H8ClF2N3O2S and a molecular weight of 271.68 g/mol. Its IUPAC name is 2-chloro-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
PubChem CID87129605
Molecular FormulaC7H8ClF2N3O2S
Molecular Weight271.68 g/mol
Exact Mass271.00
IUPAC Name2-chloro-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(NC(CF)CF)c1cnc(Cl)nc1
InChIInChI=1S/C7H8ClF2N3O2S/c8-7-11-3-6(4-12-7)16(14,15)13-5(1-9)2-10/h3-5,13H,1-2H2
InChIKeyAKHHGVHNNPRFTO-UHFFFAOYSA-N
XLogP0.72
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.68
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(1,3-difluoropropan-2-yl)pyrimidine-5-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 2-chloro-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide (CID 87129605) is 2-chloro-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide is O=S(=O)(NC(CF)CF)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?
The InChIKey is AKHHGVHNNPRFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF2N3O2S/c8-7-11-3-6(4-12-7)16(14,15)13-5(1-9)2-10/h3-5,13H,1-2H2.
What are the key properties of 2-chloro-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide?
2-chloro-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide has a molecular weight of 271.68 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 87129605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).