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

C11H10Cl2N4O2S — CID 106071916

IUPAC3-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESNCc1c(Cl)ccc(S(=O)(=O)Nc2ncccn2)c1Cl
InChIInChI=1S/C11H10Cl2N4O2S/c12-8-2-3-9(10(13)7(8)6-14)20(18,19)17-11-15-4-1-5-16-11/h1-5H,6,14H2,(H,15,16,17)
InChIKeyMIVVMJPVNZSFIN-UHFFFAOYSA-N
MW333.20 g/mol
LogP2.04
Rot. Bonds4

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

3-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 106071916) has the molecular formula C11H10Cl2N4O2S and a molecular weight of 333.20 g/mol. Its IUPAC name is 3-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID106071916
Molecular FormulaC11H10Cl2N4O2S
Molecular Weight333.20 g/mol
Exact Mass331.99
IUPAC Name3-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESNCc1c(Cl)ccc(S(=O)(=O)Nc2ncccn2)c1Cl
InChIInChI=1S/C11H10Cl2N4O2S/c12-8-2-3-9(10(13)7(8)6-14)20(18,19)17-11-15-4-1-5-16-11/h1-5H,6,14H2,(H,15,16,17)
InChIKeyMIVVMJPVNZSFIN-UHFFFAOYSA-N
XLogP2.04
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071850
5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071940
3-(aminomethyl)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide
CID 106069936
3-(aminomethyl)-2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071897
3-(aminomethyl)-2,4-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106079098
3-(aminomethyl)-2,4-dichloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 106093525
3-(aminomethyl)-2,4-dichloro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077482
2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081872
3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83145270
3-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327618
2-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 13015037
3-(aminomethyl)-2,4-dichloro-N-(5-methoxypentyl)benzenesulfonamide
CID 106092715

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide (CID 106071916) is 3-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide is NCc1c(Cl)ccc(S(=O)(=O)Nc2ncccn2)c1Cl.
What is the InChIKey of 3-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is MIVVMJPVNZSFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O2S/c12-8-2-3-9(10(13)7(8)6-14)20(18,19)17-11-15-4-1-5-16-11/h1-5H,6,14H2,(H,15,16,17).
What are the key properties of 3-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide?
3-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 333.20 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 106071916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).