2-[benzenesulfonyl-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide

C14H15ClN4O4S — CID 4121354

IUPAC2-[benzenesulfonyl-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide
SMILESCOc1nc(N(CC(N)=O)S(=O)(=O)c2ccccc2)nc(C)c1Cl
InChIInChI=1S/C14H15ClN4O4S/c1-9-12(15)13(23-2)18-14(17-9)19(8-11(16)20)24(21,22)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,16,20)
InChIKeyXSHHSKOWYWPEJG-UHFFFAOYSA-N
MW370.82 g/mol
LogP1.13
Rot. Bonds6

About 2-[benzenesulfonyl-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide

2-[benzenesulfonyl-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide (PubChem CID 4121354) has the molecular formula C14H15ClN4O4S and a molecular weight of 370.82 g/mol. Its IUPAC name is 2-[benzenesulfonyl-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide
PubChem CID4121354
Molecular FormulaC14H15ClN4O4S
Molecular Weight370.82 g/mol
Exact Mass370.05
IUPAC Name2-[benzenesulfonyl-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide
SMILESCOc1nc(N(CC(N)=O)S(=O)(=O)c2ccccc2)nc(C)c1Cl
InChIInChI=1S/C14H15ClN4O4S/c1-9-12(15)13(23-2)18-14(17-9)19(8-11(16)20)24(21,22)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,16,20)
InChIKeyXSHHSKOWYWPEJG-UHFFFAOYSA-N
XLogP1.13
TPSA115.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl {(5-chloro-4-methoxy-6-methyl-2-pyrimidinyl)[(4-methylphenyl)sulfonyl]amino}acetate
CID 658043
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 742822
N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 658027
2-chloro-N-(4-methoxy-6-methyl-2-pyrimidinyl)-N-methylbenzenesulfonamide
CID 658041
N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide
CID 658146
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
CID 1163043
N-butyl-2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 5322318
N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(prop-2-en-1-yl)benzenesulfonamide
CID 1118001
N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide
CID 6737916
N-[4-[(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 1114631
2-{(6-Methoxy-4-methylpyrimidin-2-yl)[(4-methylphenyl)sulfonyl]amino}acetamide
CID 4298504
2-[(6-Methoxy-4-methylpyrimidin-2-yl)(phenylsulfonyl)amino]acetamide
CID 5007193

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide?
The IUPAC name of 2-[benzenesulfonyl-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide (CID 4121354) is 2-[benzenesulfonyl-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide?
The canonical SMILES for 2-[benzenesulfonyl-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide is COc1nc(N(CC(N)=O)S(=O)(=O)c2ccccc2)nc(C)c1Cl.
What is the InChIKey of 2-[benzenesulfonyl-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide?
The InChIKey is XSHHSKOWYWPEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O4S/c1-9-12(15)13(23-2)18-14(17-9)19(8-11(16)20)24(21,22)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,16,20).
What are the key properties of 2-[benzenesulfonyl-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide?
2-[benzenesulfonyl-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide has a molecular weight of 370.82 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 4121354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).