4-bromo-3-methoxy-N,N-dipropylbenzenesulfonamide

C13H20BrNO3S — CID 16807445

IUPAC4-bromo-3-methoxy-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(Br)c(OC)c1
InChIInChI=1S/C13H20BrNO3S/c1-4-8-15(9-5-2)19(16,17)11-6-7-12(14)13(10-11)18-3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyNFDSWLFTHFYGFF-UHFFFAOYSA-N
MW350.28 g/mol
LogP3.27
Rot. Bonds7

About 4-bromo-3-methoxy-N,N-dipropylbenzenesulfonamide

4-bromo-3-methoxy-N,N-dipropylbenzenesulfonamide (PubChem CID 16807445) has the molecular formula C13H20BrNO3S and a molecular weight of 350.28 g/mol. Its IUPAC name is 4-bromo-3-methoxy-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-methoxy-N,N-dipropylbenzenesulfonamide
PubChem CID16807445
Molecular FormulaC13H20BrNO3S
Molecular Weight350.28 g/mol
Exact Mass349.03
IUPAC Name4-bromo-3-methoxy-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(Br)c(OC)c1
InChIInChI=1S/C13H20BrNO3S/c1-4-8-15(9-5-2)19(16,17)11-6-7-12(14)13(10-11)18-3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyNFDSWLFTHFYGFF-UHFFFAOYSA-N
XLogP3.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-((3-Bromo-4-methoxyphenyl)sulfonyl)pyrrolidine
CID 765795
5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide
CID 882981
4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide
CID 935668
1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine
CID 700232
1-((3-Bromo-4-methoxyphenyl)sulfonyl)-4-ethylpiperazine
CID 1295697
3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide
CID 2442102
4-bromo-3-methoxy-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 2967761
1-[(4-Bromo-2,5-dimethoxyphenyl)sulfonyl]-4-methylpiperazine
CID 660834
1-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane
CID 566593
1-(3-Bromo-4-methoxyphenyl)sulfonylpiperidine
CID 738615
1-[(3-Bromo-4-methoxyphenyl)sulfonyl]azepane
CID 800461
1-((3-Bromo-4-methoxyphenyl)sulfonyl)-4-methylpiperidine
CID 846306

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 4-bromo-3-methoxy-N,N-dipropylbenzenesulfonamide (CID 16807445) is 4-bromo-3-methoxy-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-methoxy-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 4-bromo-3-methoxy-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccc(Br)c(OC)c1.
What is the InChIKey of 4-bromo-3-methoxy-N,N-dipropylbenzenesulfonamide?
The InChIKey is NFDSWLFTHFYGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO3S/c1-4-8-15(9-5-2)19(16,17)11-6-7-12(14)13(10-11)18-3/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 4-bromo-3-methoxy-N,N-dipropylbenzenesulfonamide?
4-bromo-3-methoxy-N,N-dipropylbenzenesulfonamide has a molecular weight of 350.28 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 16807445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).