5-acetyl-3-[butyl(methyl)amino]-2-phenylbenzenesulfonamide

C19H24N2O3S — CID 91439497

IUPAC5-acetyl-3-[butyl(methyl)amino]-2-phenylbenzenesulfonamide
SMILESCCCCN(C)c1cc(C(C)=O)cc(S(N)(=O)=O)c1-c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-4-5-11-21(3)17-12-16(14(2)22)13-18(25(20,23)24)19(17)15-9-7-6-8-10-15/h6-10,12-13H,4-5,11H2,1-3H3,(H2,20,23,24)
InChIKeyQQCNJEYINVEJQA-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.44
Rot. Bonds7

About 5-acetyl-3-[butyl(methyl)amino]-2-phenylbenzenesulfonamide

5-acetyl-3-[butyl(methyl)amino]-2-phenylbenzenesulfonamide (PubChem CID 91439497) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 5-acetyl-3-[butyl(methyl)amino]-2-phenylbenzenesulfonamide.

Molecular Properties

Compound Name5-acetyl-3-[butyl(methyl)amino]-2-phenylbenzenesulfonamide
PubChem CID91439497
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name5-acetyl-3-[butyl(methyl)amino]-2-phenylbenzenesulfonamide
SMILESCCCCN(C)c1cc(C(C)=O)cc(S(N)(=O)=O)c1-c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-4-5-11-21(3)17-12-16(14(2)22)13-18(25(20,23)24)19(17)15-9-7-6-8-10-15/h6-10,12-13H,4-5,11H2,1-3H3,(H2,20,23,24)
InChIKeyQQCNJEYINVEJQA-UHFFFAOYSA-N
XLogP3.44
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butyl(methyl)amino]-4-pyridin-4-yl-5-sulfamoylbenzoic acid
CID 90918134
3-(dibutylamino)-4-phenyl-5-sulfamoylbenzoic acid
CID 66729129
3-[butyl(methyl)amino]-4-(furan-3-yl)-5-sulfamoylbenzoic acid
CID 91407573
3-(dibutylamino)-N-methyl-4-phenoxy-N-propyl-5-sulfamoylbenzamide
CID 58033530
[2-(dimethylamino)-2-oxoethyl] 3-(dibutylamino)-4-phenoxy-5-sulfamoylbenzoate
CID 58033513
3-amino-4-[heptyl(methyl)amino]benzoic acid
CID 63117413
3-(dibutylamino)-4-ethylsulfanyl-5-sulfamoylbenzoic acid
CID 58033617
propanoyloxymethyl 3-(dibutylamino)-4-phenoxy-5-sulfamoylbenzoate
CID 58033689
3-[butyl(ethenyl)amino]-4-chloro-5-sulfamoylbenzoic acid
CID 90873558
3-[butyl(methyl)amino]-4-(furan-3-yl)-5-methylbenzoic acid
CID 91151471
3-(dibutylamino)-N-methyl-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide
CID 123206470
3-[bis(1,1-dideuteriobutyl)amino]-4-phenoxy-5-sulfamoylbenzoic acid
CID 71618345

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-[butyl(methyl)amino]-2-phenylbenzenesulfonamide?
The IUPAC name of 5-acetyl-3-[butyl(methyl)amino]-2-phenylbenzenesulfonamide (CID 91439497) is 5-acetyl-3-[butyl(methyl)amino]-2-phenylbenzenesulfonamide.
What is the SMILES notation for 5-acetyl-3-[butyl(methyl)amino]-2-phenylbenzenesulfonamide?
The canonical SMILES for 5-acetyl-3-[butyl(methyl)amino]-2-phenylbenzenesulfonamide is CCCCN(C)c1cc(C(C)=O)cc(S(N)(=O)=O)c1-c1ccccc1.
What is the InChIKey of 5-acetyl-3-[butyl(methyl)amino]-2-phenylbenzenesulfonamide?
The InChIKey is QQCNJEYINVEJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-5-11-21(3)17-12-16(14(2)22)13-18(25(20,23)24)19(17)15-9-7-6-8-10-15/h6-10,12-13H,4-5,11H2,1-3H3,(H2,20,23,24).
What are the key properties of 5-acetyl-3-[butyl(methyl)amino]-2-phenylbenzenesulfonamide?
5-acetyl-3-[butyl(methyl)amino]-2-phenylbenzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-[butyl(methyl)amino]-2-phenylbenzenesulfonamide is sourced from PubChem (CID 91439497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).