4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide

C14H17N3O3S — CID 122263634

IUPAC4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cc(C)ncn2)cc1
InChIInChI=1S/C14H17N3O3S/c1-3-20-13-4-6-14(7-5-13)21(18,19)17-9-12-8-11(2)15-10-16-12/h4-8,10,17H,3,9H2,1-2H3
InChIKeyPRTMJISTXBFUHP-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.66
Rot. Bonds6

About 4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide

4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide (PubChem CID 122263634) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide
PubChem CID122263634
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cc(C)ncn2)cc1
InChIInChI=1S/C14H17N3O3S/c1-3-20-13-4-6-14(7-5-13)21(18,19)17-9-12-8-11(2)15-10-16-12/h4-8,10,17H,3,9H2,1-2H3
InChIKeyPRTMJISTXBFUHP-UHFFFAOYSA-N
XLogP1.66
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122263618
2-methyl-N-[4-[(6-methylpyrimidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 122263675
4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967537
4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51169949
N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide
CID 110718117
4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839268
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
4-ethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-methylbenzenesulfonamide
CID 122262717
N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-4-ethoxybenzenesulfonamide
CID 110504197
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
CID 22206196
4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 33040103

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide (CID 122263634) is 4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2cc(C)ncn2)cc1.
What is the InChIKey of 4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is PRTMJISTXBFUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-3-20-13-4-6-14(7-5-13)21(18,19)17-9-12-8-11(2)15-10-16-12/h4-8,10,17H,3,9H2,1-2H3.
What are the key properties of 4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide?
4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122263634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).