4-bromo-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfinamide

C23H25BrN2O5S — CID 178057473

IUPAC4-bromo-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfinamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)c2cc(Br)ccn2)c(OC)c1
InChIInChI=1S/C23H25BrN2O5S/c1-28-19-7-5-16(21(12-19)30-3)14-26(32(27)23-11-18(24)9-10-25-23)15-17-6-8-20(29-2)13-22(17)31-4/h5-13H,14-15H2,1-4H3
InChIKeySSWZAAMJSGLEMG-UHFFFAOYSA-N
MW521.43 g/mol
LogP4.60
Rot. Bonds10

About 4-bromo-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfinamide

4-bromo-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfinamide (PubChem CID 178057473) has the molecular formula C23H25BrN2O5S and a molecular weight of 521.43 g/mol. Its IUPAC name is 4-bromo-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfinamide.

Molecular Properties

Compound Name4-bromo-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfinamide
PubChem CID178057473
Molecular FormulaC23H25BrN2O5S
Molecular Weight521.43 g/mol
Exact Mass520.07
IUPAC Name4-bromo-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfinamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)c2cc(Br)ccn2)c(OC)c1
InChIInChI=1S/C23H25BrN2O5S/c1-28-19-7-5-16(21(12-19)30-3)14-26(32(27)23-11-18(24)9-10-25-23)15-17-6-8-20(29-2)13-22(17)31-4/h5-13H,14-15H2,1-4H3
InChIKeySSWZAAMJSGLEMG-UHFFFAOYSA-N
XLogP4.60
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.43
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-bromoquinolin-4-yl)methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 178046475
N-[(2,4-dimethoxyphenyl)methyl]-N-[(4-ethoxy-2-methoxyphenyl)methyl]-3-oxopropane-1-sulfinamide
CID 134558918
2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 7930574
N-(3-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfonamide
CID 121005285
methyl N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-oxazol-2-yl)sulfamate
CID 166885362
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,4-difluoro-N-(1,3-thiazol-2-yl)benzenesulfinamide
CID 134459398
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
1-(4-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfinamide
CID 170623503
2-(2,4-dimethoxyphenyl)ethanesulfinic acid
CID 68550384
4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30329505
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-4-bromo-1,3-thiazole-5-carbaldehyde
CID 146284828

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfinamide?
The IUPAC name of 4-bromo-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfinamide (CID 178057473) is 4-bromo-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfinamide.
What is the SMILES notation for 4-bromo-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfinamide?
The canonical SMILES for 4-bromo-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfinamide is COc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)c2cc(Br)ccn2)c(OC)c1.
What is the InChIKey of 4-bromo-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfinamide?
The InChIKey is SSWZAAMJSGLEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O5S/c1-28-19-7-5-16(21(12-19)30-3)14-26(32(27)23-11-18(24)9-10-25-23)15-17-6-8-20(29-2)13-22(17)31-4/h5-13H,14-15H2,1-4H3.
What are the key properties of 4-bromo-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfinamide?
4-bromo-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfinamide has a molecular weight of 521.43 g/mol, XLogP of 4.60, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfinamide is sourced from PubChem (CID 178057473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).