2-chloro-N-[2-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide

C11H10ClN3O3S — CID 61052576

IUPAC2-chloro-N-[2-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1CO)c1cnc(Cl)nc1
InChIInChI=1S/C11H10ClN3O3S/c12-11-13-5-9(6-14-11)19(17,18)15-10-4-2-1-3-8(10)7-16/h1-6,15-16H,7H2
InChIKeyUMKFGOVWJGWZBT-UHFFFAOYSA-N
MW299.74 g/mol
LogP1.42
Rot. Bonds4

About 2-chloro-N-[2-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide

2-chloro-N-[2-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide (PubChem CID 61052576) has the molecular formula C11H10ClN3O3S and a molecular weight of 299.74 g/mol. Its IUPAC name is 2-chloro-N-[2-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide
PubChem CID61052576
Molecular FormulaC11H10ClN3O3S
Molecular Weight299.74 g/mol
Exact Mass299.01
IUPAC Name2-chloro-N-[2-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1CO)c1cnc(Cl)nc1
InChIInChI=1S/C11H10ClN3O3S/c12-11-13-5-9(6-14-11)19(17,18)15-10-4-2-1-3-8(10)7-16/h1-6,15-16H,7H2
InChIKeyUMKFGOVWJGWZBT-UHFFFAOYSA-N
XLogP1.42
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-[2-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide (CID 61052576) is 2-chloro-N-[2-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide is O=S(=O)(Nc1ccccc1CO)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-[2-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide?
The InChIKey is UMKFGOVWJGWZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3S/c12-11-13-5-9(6-14-11)19(17,18)15-10-4-2-1-3-8(10)7-16/h1-6,15-16H,7H2.
What are the key properties of 2-chloro-N-[2-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide?
2-chloro-N-[2-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide has a molecular weight of 299.74 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 61052576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).