2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide

C13H14ClN3O2S — CID 79763049

IUPAC2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide
SMILESCc1ccccc1CCNS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C13H14ClN3O2S/c1-10-4-2-3-5-11(10)6-7-17-20(18,19)12-8-15-13(14)16-9-12/h2-5,8-9,17H,6-7H2,1H3
InChIKeyHUDLYMOZKRIMSH-UHFFFAOYSA-N
MW311.79 g/mol
LogP1.96
Rot. Bonds5

About 2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide

2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide (PubChem CID 79763049) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide
PubChem CID79763049
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide
SMILESCc1ccccc1CCNS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C13H14ClN3O2S/c1-10-4-2-3-5-11(10)6-7-17-20(18,19)12-8-15-13(14)16-9-12/h2-5,8-9,17H,6-7H2,1H3
InChIKeyHUDLYMOZKRIMSH-UHFFFAOYSA-N
XLogP1.96
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 79755229
2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
CID 60905954
2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide
CID 79755225
2-chloro-N-propylpyrimidine-5-sulfonamide
CID 43456271
2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide
CID 43456385
N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 9301745
3-amino-N-[2-(2-methylphenyl)ethyl]pyridine-2-sulfonamide
CID 103306499
2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 79756335
2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 22722440
2-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methylbenzenesulfonamide
CID 146256445
2,4-dichloro-6-hydroxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 146256312
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 114183471

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide (CID 79763049) is 2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide is Cc1ccccc1CCNS(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide?
The InChIKey is HUDLYMOZKRIMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-10-4-2-3-5-11(10)6-7-17-20(18,19)12-8-15-13(14)16-9-12/h2-5,8-9,17H,6-7H2,1H3.
What are the key properties of 2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide?
2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide has a molecular weight of 311.79 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 79763049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).