N-butyl-2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide

C16H20ClN3O3S — CID 5322318

IUPACN-butyl-2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCCCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C16H20ClN3O3S/c1-4-5-10-20(16-18-12(2)11-15(19-16)23-3)24(21,22)14-9-7-6-8-13(14)17/h6-9,11H,4-5,10H2,1-3H3
InChIKeyHXMAKENSUPUYLN-UHFFFAOYSA-N
MW369.87 g/mol
LogP3.44
Rot. Bonds7

About N-butyl-2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide

N-butyl-2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 5322318) has the molecular formula C16H20ClN3O3S and a molecular weight of 369.87 g/mol. Its IUPAC name is N-butyl-2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID5322318
Molecular FormulaC16H20ClN3O3S
Molecular Weight369.87 g/mol
Exact Mass369.09
IUPAC NameN-butyl-2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCCCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C16H20ClN3O3S/c1-4-5-10-20(16-18-12(2)11-15(19-16)23-3)24(21,22)14-9-7-6-8-13(14)17/h6-9,11H,4-5,10H2,1-3H3
InChIKeyHXMAKENSUPUYLN-UHFFFAOYSA-N
XLogP3.44
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-benzenesulfonamide
CID 742828
N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 1212198
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
CID 3245110
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 742822
2-[(5-Chloro-4-methoxy-6-methyl-2-pyrimidinyl)(phenylsulfonyl)amino]acetamide
CID 4121354
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
N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 778472
methyl 2-(N-(4-methoxy-6-methylpyrimidin-2-yl)phenylsulfonamido)acetate
CID 657955
N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide
CID 658146
N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 767951

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of N-butyl-2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide (CID 5322318) is N-butyl-2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-butyl-2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-butyl-2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide is CCCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-butyl-2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is HXMAKENSUPUYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3S/c1-4-5-10-20(16-18-12(2)11-15(19-16)23-3)24(21,22)14-9-7-6-8-13(14)17/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of N-butyl-2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
N-butyl-2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 369.87 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 5322318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).