4-methoxy-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide

C19H19N3O4S — CID 66714786

IUPAC4-methoxy-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3cncnc3C)c(OC)c2)cc1
InChIInChI=1S/C19H19N3O4S/c1-13-18(11-20-12-21-13)17-9-4-14(10-19(17)26-3)22-27(23,24)16-7-5-15(25-2)6-8-16/h4-12,22H,1-3H3
InChIKeyAGFYCJNRMVUKIF-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.27
Rot. Bonds6

About 4-methoxy-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide

4-methoxy-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide (PubChem CID 66714786) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-methoxy-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide
PubChem CID66714786
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name4-methoxy-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3cncnc3C)c(OC)c2)cc1
InChIInChI=1S/C19H19N3O4S/c1-13-18(11-20-12-21-13)17-9-4-14(10-19(17)26-3)22-27(23,24)16-7-5-15(25-2)6-8-16/h4-12,22H,1-3H3
InChIKeyAGFYCJNRMVUKIF-UHFFFAOYSA-N
XLogP3.27
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-{[6-(2-Methoxyphenyl)pyrimidin-4-yl]amino}phenyl)methanesulfonamide
CID 25104564
3-({4-[(5-Methoxy-2-methylphenyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 25138033
2,2,2-trifluoro-N-[3-(2-methylphenoxy)phenyl]-N-(pyrimidin-5-ylmethyl)ethanesulfonamide
CID 11582941
4-(4-(4-Methoxyphenyl)pyrimidin-2-ylamino)benzenesulfonamide
CID 11667571
3-[[6-(2-Methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide
CID 57855560
5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[3-methoxy-5-[(methylsulfonimidoyl)methyl]phenyl]pyrimidin-2-amine
CID 71515791
N-[3-[6-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]phenyl]methanesulfonamide
CID 3234429
N-[3-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]phenyl]methanesulfonamide
CID 3235328
(4-Methoxy-phenyl)-{4-[4-(piperazine-1-sulfonyl)-phenyl]-pyrimidin-2-yl}-amine
CID 44353966
N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 57390852
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-4-methoxy-N-propan-2-ylbenzenesulfonamide
CID 91800601
N-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide
CID 137637366

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide (CID 66714786) is 4-methoxy-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(-c3cncnc3C)c(OC)c2)cc1.
What is the InChIKey of 4-methoxy-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide?
The InChIKey is AGFYCJNRMVUKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-13-18(11-20-12-21-13)17-9-4-14(10-19(17)26-3)22-27(23,24)16-7-5-15(25-2)6-8-16/h4-12,22H,1-3H3.
What are the key properties of 4-methoxy-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide?
4-methoxy-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 66714786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).