N-(3-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfonamide

C16H18BrNO4S — CID 121005285

IUPACN-(3-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(CN(c2cccc(Br)c2)S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C16H18BrNO4S/c1-21-15-8-7-12(16(10-15)22-2)11-18(23(3,19)20)14-6-4-5-13(17)9-14/h4-10H,11H2,1-3H3
InChIKeyAHPUXBBVUJLVBB-UHFFFAOYSA-N
MW400.29 g/mol
LogP3.43
Rot. Bonds6

About N-(3-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfonamide

N-(3-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfonamide (PubChem CID 121005285) has the molecular formula C16H18BrNO4S and a molecular weight of 400.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfonamide
PubChem CID121005285
Molecular FormulaC16H18BrNO4S
Molecular Weight400.29 g/mol
Exact Mass399.01
IUPAC NameN-(3-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(CN(c2cccc(Br)c2)S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C16H18BrNO4S/c1-21-15-8-7-12(16(10-15)22-2)11-18(23(3,19)20)14-6-4-5-13(17)9-14/h4-10H,11H2,1-3H3
InChIKeyAHPUXBBVUJLVBB-UHFFFAOYSA-N
XLogP3.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 46022543
N-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46023029
2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 7930574
2-(3-bromo-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 38006149
4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30329505
(4-bromophenyl) N-benzyl-N-[(2,4-dimethoxyphenyl)methyl]sulfamate
CID 66573570
N-(6-bromo-4-methoxy-1,2-benzoxazol-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-2,6-dimethoxybenzenesulfonamide
CID 155411205
4-bromo-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfinamide
CID 178057473
methyl 4-[(5-bromo-2-methoxyphenyl)methyl-methylsulfonylamino]benzoate
CID 56578687
methyl N-[2-(3-bromo-N-methylsulfonylanilino)ethyl]carbamate
CID 113071573
2-[(3-bromophenyl)methyl-[2-(2,4-dimethoxy-N-methylsulfonylanilino)acetyl]amino]-N-ethylpropanamide
CID 132628007
N-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide
CID 165347304

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of N-(3-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfonamide (CID 121005285) is N-(3-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfonamide is COc1ccc(CN(c2cccc(Br)c2)S(C)(=O)=O)c(OC)c1.
What is the InChIKey of N-(3-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfonamide?
The InChIKey is AHPUXBBVUJLVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO4S/c1-21-15-8-7-12(16(10-15)22-2)11-18(23(3,19)20)14-6-4-5-13(17)9-14/h4-10H,11H2,1-3H3.
What are the key properties of N-(3-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfonamide?
N-(3-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfonamide has a molecular weight of 400.29 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 121005285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).