2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide

C14H17N3O3S — CID 110758446

IUPAC2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCOc1cc(C(C)C)ccc1S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C14H17N3O3S/c1-10(2)11-5-6-13(12(9-11)20-3)21(18,19)17-14-15-7-4-8-16-14/h4-10H,1-3H3,(H,15,16,17)
InChIKeyNYNVHXMVGMAJFU-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.41
Rot. Bonds5

About 2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide

2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 110758446) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID110758446
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCOc1cc(C(C)C)ccc1S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C14H17N3O3S/c1-10(2)11-5-6-13(12(9-11)20-3)21(18,19)17-14-15-7-4-8-16-14/h4-10H,1-3H3,(H,15,16,17)
InChIKeyNYNVHXMVGMAJFU-UHFFFAOYSA-N
XLogP2.41
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide
CID 110758402
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 102945870
N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide
CID 110758409
N-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide
CID 110758453
2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106072006
N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 850026
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 28560607
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082623
2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724455
N-(2-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 110757600

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide (CID 110758446) is 2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide is COc1cc(C(C)C)ccc1S(=O)(=O)Nc1ncccn1.
What is the InChIKey of 2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is NYNVHXMVGMAJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-10(2)11-5-6-13(12(9-11)20-3)21(18,19)17-14-15-7-4-8-16-14/h4-10H,1-3H3,(H,15,16,17).
What are the key properties of 2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide?
2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 110758446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).