N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide

C17H20BrNO5S — CID 32941824

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)Cc2cc(Br)ccc2OC)c1
InChIInChI=1S/C17H20BrNO5S/c1-19(11-12-9-13(18)5-7-15(12)23-3)25(20,21)17-10-14(22-2)6-8-16(17)24-4/h5-10H,11H2,1-4H3
InChIKeyRMUPLYHBDCLBHG-UHFFFAOYSA-N
MW430.32 g/mol
LogP3.30
Rot. Bonds7

About N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide

N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide (PubChem CID 32941824) has the molecular formula C17H20BrNO5S and a molecular weight of 430.32 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
PubChem CID32941824
Molecular FormulaC17H20BrNO5S
Molecular Weight430.32 g/mol
Exact Mass429.02
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)Cc2cc(Br)ccc2OC)c1
InChIInChI=1S/C17H20BrNO5S/c1-19(11-12-9-13(18)5-7-15(12)23-3)25(20,21)17-10-14(22-2)6-8-16(17)24-4/h5-10H,11H2,1-4H3
InChIKeyRMUPLYHBDCLBHG-UHFFFAOYSA-N
XLogP3.30
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30329505
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 15590963
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 32945132
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 100796931
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 27001573
5-bromo-2-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113356114
5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 55352516
5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 47480367
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 45371745
2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide
CID 55681499
(3-bromophenyl) 2,5-dimethoxybenzenesulfonate
CID 7574279
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperazine-1-sulfonamide
CID 61254577

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide (CID 32941824) is N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N(C)Cc2cc(Br)ccc2OC)c1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide?
The InChIKey is RMUPLYHBDCLBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO5S/c1-19(11-12-9-13(18)5-7-15(12)23-3)25(20,21)17-10-14(22-2)6-8-16(17)24-4/h5-10H,11H2,1-4H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide has a molecular weight of 430.32 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 32941824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).