N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide

C16H18ClN3O3S — CID 1118001

IUPACN-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1nc(C)c(Cl)c(OC)n1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-5-10-20(16-18-12(3)14(17)15(19-16)23-4)24(21,22)13-8-6-11(2)7-9-13/h5-9H,1,10H2,2-4H3
InChIKeyRGYKZODYAPTEJA-UHFFFAOYSA-N
MW367.86 g/mol
LogP3.14
Rot. Bonds6

About N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide

N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 1118001) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide
PubChem CID1118001
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC NameN-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1nc(C)c(Cl)c(OC)n1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-5-10-20(16-18-12(3)14(17)15(19-16)23-4)24(21,22)13-8-6-11(2)7-9-13/h5-9H,1,10H2,2-4H3
InChIKeyRGYKZODYAPTEJA-UHFFFAOYSA-N
XLogP3.14
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-benzenesulfonamide
CID 742828
Methyl {(5-chloro-4-methoxy-6-methyl-2-pyrimidinyl)[(4-methylphenyl)sulfonyl]amino}acetate
CID 658043
N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(prop-2-en-1-yl)benzenesulfonamide
CID 1118002
N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 1212198
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
CID 3245110
N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 658027
N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide
CID 1114632
2-[(5-Chloro-4-methoxy-6-methyl-2-pyrimidinyl)(phenylsulfonyl)amino]acetamide
CID 4121354
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 649460
2-chloro-N-(4-methoxy-6-methyl-2-pyrimidinyl)-N-methylbenzenesulfonamide
CID 658041
N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-4-methyl-benzenesulfonamide
CID 767952
N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 1118003

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide (CID 1118001) is N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide is C=CCN(c1nc(C)c(Cl)c(OC)n1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is RGYKZODYAPTEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-5-10-20(16-18-12(3)14(17)15(19-16)23-4)24(21,22)13-8-6-11(2)7-9-13/h5-9H,1,10H2,2-4H3.
What are the key properties of N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide?
N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 367.86 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 1118001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).