2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

C11H9Cl2N3O2S — CID 2218577

IUPAC2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H9Cl2N3O2S/c1-7-4-5-14-11(15-7)16-19(17,18)10-6-8(12)2-3-9(10)13/h2-6H,1H3,(H,14,15,16)
InChIKeyOJMSVYUHHSVEIM-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.89
Rot. Bonds3

About 2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 2218577) has the molecular formula C11H9Cl2N3O2S and a molecular weight of 318.19 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID2218577
Molecular FormulaC11H9Cl2N3O2S
Molecular Weight318.19 g/mol
Exact Mass316.98
IUPAC Name2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H9Cl2N3O2S/c1-7-4-5-14-11(15-7)16-19(17,18)10-6-8(12)2-3-9(10)13/h2-6H,1H3,(H,14,15,16)
InChIKeyOJMSVYUHHSVEIM-UHFFFAOYSA-N
XLogP2.89
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 6465342
2,5-dichloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzenesulfonamide
CID 39854116
2,5-dichloro-N-(2-methylquinolin-6-yl)benzenesulfonamide
CID 11280072
2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide
CID 86790541
5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 29301609
2,5-dichloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 121032391
2,5-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 102989905
2-chloro-N-[4-chloro-3-[(4-methylpyrimidin-2-yl)carbamoylsulfamoyl]phenyl]acetamide
CID 57393233
2,5-dichloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide
CID 39000746
2,5-dichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 717534
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 79729132
4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (CID 2218577) is 2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is OJMSVYUHHSVEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2S/c1-7-4-5-14-11(15-7)16-19(17,18)10-6-8(12)2-3-9(10)13/h2-6H,1H3,(H,14,15,16).
What are the key properties of 2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 318.19 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 2218577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).