4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide

C12H20N2O3S — CID 61448189

IUPAC4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide
SMILESCCCCN(CCO)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H20N2O3S/c1-2-3-8-14(9-10-15)11-4-6-12(7-5-11)18(13,16)17/h4-7,15H,2-3,8-10H2,1H3,(H2,13,16,17)
InChIKeyWMDHKAPGGICJKJ-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.93
Rot. Bonds7

About 4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide

4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide (PubChem CID 61448189) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide
PubChem CID61448189
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide
SMILESCCCCN(CCO)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H20N2O3S/c1-2-3-8-14(9-10-15)11-4-6-12(7-5-11)18(13,16)17/h4-7,15H,2-3,8-10H2,1H3,(H2,13,16,17)
InChIKeyWMDHKAPGGICJKJ-UHFFFAOYSA-N
XLogP0.93
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[butyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide
CID 61448236
2-(4-ethylsulfonyl-N-propylanilino)ethanol
CID 61425669
(1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 55184841
4-[[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]diazenyl]benzenesulfonamide
CID 54210128
3-(4-amino-N-butylanilino)propane-1-sulfonic acid
CID 4614654
2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol
CID 61446426
2-[(6-amino-3-pyridinyl)-butylamino]ethanol
CID 61444320
2-(N-butyl-4-ethylsulfonylanilino)acetic acid
CID 18972370
N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide
CID 108508773
2-bromo-4-[butyl(2-hydroxyethyl)amino]benzenecarbothioamide
CID 107277482
2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride
CID 70452511
[4-[bis[4-(dibutylamino)phenyl]azaniumyl]phenyl]-bis[4-(dibutylamino)phenyl]azanium;bis(trifluoromethanesulfonate)
CID 19975040

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide?
The IUPAC name of 4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide (CID 61448189) is 4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide?
The canonical SMILES for 4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide is CCCCN(CCO)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide?
The InChIKey is WMDHKAPGGICJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-2-3-8-14(9-10-15)11-4-6-12(7-5-11)18(13,16)17/h4-7,15H,2-3,8-10H2,1H3,(H2,13,16,17).
What are the key properties of 4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide?
4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide is sourced from PubChem (CID 61448189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).