2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide

C12H12Cl2N4O2S — CID 106071850

IUPAC2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCNCc1c(Cl)ccc(S(=O)(=O)Nc2ncccn2)c1Cl
InChIInChI=1S/C12H12Cl2N4O2S/c1-15-7-8-9(13)3-4-10(11(8)14)21(19,20)18-12-16-5-2-6-17-12/h2-6,15H,7H2,1H3,(H,16,17,18)
InChIKeyPRTYGQBMDCVWCG-UHFFFAOYSA-N
MW347.23 g/mol
LogP2.30
Rot. Bonds5

About 2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide

2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 106071850) has the molecular formula C12H12Cl2N4O2S and a molecular weight of 347.23 g/mol. Its IUPAC name is 2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID106071850
Molecular FormulaC12H12Cl2N4O2S
Molecular Weight347.23 g/mol
Exact Mass346.01
IUPAC Name2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCNCc1c(Cl)ccc(S(=O)(=O)Nc2ncccn2)c1Cl
InChIInChI=1S/C12H12Cl2N4O2S/c1-15-7-8-9(13)3-4-10(11(8)14)21(19,20)18-12-16-5-2-6-17-12/h2-6,15H,7H2,1H3,(H,16,17,18)
InChIKeyPRTYGQBMDCVWCG-UHFFFAOYSA-N
XLogP2.30
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081872
3-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071916
2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077414
2,4-dichloro-3-(methylaminomethyl)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066154
2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106083183
2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106072006
N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106086657
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
5-chloro-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 19683573
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
2-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 13015037

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide (CID 106071850) is 2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide is CNCc1c(Cl)ccc(S(=O)(=O)Nc2ncccn2)c1Cl.
What is the InChIKey of 2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is PRTYGQBMDCVWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O2S/c1-15-7-8-9(13)3-4-10(11(8)14)21(19,20)18-12-16-5-2-6-17-12/h2-6,15H,7H2,1H3,(H,16,17,18).
What are the key properties of 2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide?
2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 347.23 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 106071850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).