1-(3-chlorophenyl)-N-(2,4-dimethoxypyrimidin-5-yl)methanesulfonamide

C13H14ClN3O4S — CID 122304215

IUPAC1-(3-chlorophenyl)-N-(2,4-dimethoxypyrimidin-5-yl)methanesulfonamide
SMILESCOc1ncc(NS(=O)(=O)Cc2cccc(Cl)c2)c(OC)n1
InChIInChI=1S/C13H14ClN3O4S/c1-20-12-11(7-15-13(16-12)21-2)17-22(18,19)8-9-4-3-5-10(14)6-9/h3-7,17H,8H2,1-2H3
InChIKeyVVFCQCUYPMQPNV-UHFFFAOYSA-N
MW343.79 g/mol
LogP2.09
Rot. Bonds6

About 1-(3-chlorophenyl)-N-(2,4-dimethoxypyrimidin-5-yl)methanesulfonamide

1-(3-chlorophenyl)-N-(2,4-dimethoxypyrimidin-5-yl)methanesulfonamide (PubChem CID 122304215) has the molecular formula C13H14ClN3O4S and a molecular weight of 343.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2,4-dimethoxypyrimidin-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2,4-dimethoxypyrimidin-5-yl)methanesulfonamide
PubChem CID122304215
Molecular FormulaC13H14ClN3O4S
Molecular Weight343.79 g/mol
Exact Mass343.04
IUPAC Name1-(3-chlorophenyl)-N-(2,4-dimethoxypyrimidin-5-yl)methanesulfonamide
SMILESCOc1ncc(NS(=O)(=O)Cc2cccc(Cl)c2)c(OC)n1
InChIInChI=1S/C13H14ClN3O4S/c1-20-12-11(7-15-13(16-12)21-2)17-22(18,19)8-9-4-3-5-10(14)6-9/h3-7,17H,8H2,1-2H3
InChIKeyVVFCQCUYPMQPNV-UHFFFAOYSA-N
XLogP2.09
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide
CID 122301719
N-(2,4-dimethoxypyrimidin-5-yl)-4-phenylbenzenesulfonamide
CID 122303990
N-chloro-1-(3-chlorophenyl)methanesulfonamide
CID 133063629
N-(2,4-dimethoxypyrimidin-5-yl)-3-nitrobenzenesulfonamide
CID 122304240
1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide
CID 90498317
5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide
CID 71807581
N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide
CID 110777958
N-(5-chloro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 788792
N-(6-chloro-4-oxo-1H-pyridazin-3-yl)-1-(3-chlorophenyl)methanesulfonamide
CID 86580562
1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide
CID 106037003
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
N-[2-[2-(3-chlorophenyl)ethyl]-1,3-benzoxazol-4-yl]-1-phenylmethanesulfonamide
CID 76852424

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2,4-dimethoxypyrimidin-5-yl)methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2,4-dimethoxypyrimidin-5-yl)methanesulfonamide (CID 122304215) is 1-(3-chlorophenyl)-N-(2,4-dimethoxypyrimidin-5-yl)methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2,4-dimethoxypyrimidin-5-yl)methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2,4-dimethoxypyrimidin-5-yl)methanesulfonamide is COc1ncc(NS(=O)(=O)Cc2cccc(Cl)c2)c(OC)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2,4-dimethoxypyrimidin-5-yl)methanesulfonamide?
The InChIKey is VVFCQCUYPMQPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O4S/c1-20-12-11(7-15-13(16-12)21-2)17-22(18,19)8-9-4-3-5-10(14)6-9/h3-7,17H,8H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-(2,4-dimethoxypyrimidin-5-yl)methanesulfonamide?
1-(3-chlorophenyl)-N-(2,4-dimethoxypyrimidin-5-yl)methanesulfonamide has a molecular weight of 343.79 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2,4-dimethoxypyrimidin-5-yl)methanesulfonamide is sourced from PubChem (CID 122304215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).