2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide

C15H18ClN3O3S — CID 1163043

IUPAC2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
SMILESCCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C15H18ClN3O3S/c1-4-9-19(15-17-11(2)10-14(18-15)22-3)23(20,21)13-8-6-5-7-12(13)16/h5-8,10H,4,9H2,1-3H3
InChIKeyYVOJLVVBKADKNK-UHFFFAOYSA-N
MW355.85 g/mol
LogP3.05
Rot. Bonds6

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

2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide (PubChem CID 1163043) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
PubChem CID1163043
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
SMILESCCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C15H18ClN3O3S/c1-4-9-19(15-17-11(2)10-14(18-15)22-3)23(20,21)13-8-6-5-7-12(13)16/h5-8,10H,4,9H2,1-3H3
InChIKeyYVOJLVVBKADKNK-UHFFFAOYSA-N
XLogP3.05
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 53.05
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 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide (CID 1163043) is 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide is CCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide?
The InChIKey is YVOJLVVBKADKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c1-4-9-19(15-17-11(2)10-14(18-15)22-3)23(20,21)13-8-6-5-7-12(13)16/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide?
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide has a molecular weight of 355.85 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 1163043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).