3-ethyl-N-[3-(1-hydroxy-2-methoxyethyl)phenyl]benzenesulfonamide

C17H21NO4S — CID 126815984

IUPAC3-ethyl-N-[3-(1-hydroxy-2-methoxyethyl)phenyl]benzenesulfonamide
SMILESCCc1cccc(S(=O)(=O)Nc2cccc(C(O)COC)c2)c1
InChIInChI=1S/C17H21NO4S/c1-3-13-6-4-9-16(10-13)23(20,21)18-15-8-5-7-14(11-15)17(19)12-22-2/h4-11,17-19H,3,12H2,1-2H3
InChIKeyIGDPFUFBFGODNJ-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.73
Rot. Bonds7

About 3-ethyl-N-[3-(1-hydroxy-2-methoxyethyl)phenyl]benzenesulfonamide

3-ethyl-N-[3-(1-hydroxy-2-methoxyethyl)phenyl]benzenesulfonamide (PubChem CID 126815984) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-ethyl-N-[3-(1-hydroxy-2-methoxyethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-ethyl-N-[3-(1-hydroxy-2-methoxyethyl)phenyl]benzenesulfonamide
PubChem CID126815984
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name3-ethyl-N-[3-(1-hydroxy-2-methoxyethyl)phenyl]benzenesulfonamide
SMILESCCc1cccc(S(=O)(=O)Nc2cccc(C(O)COC)c2)c1
InChIInChI=1S/C17H21NO4S/c1-3-13-6-4-9-16(10-13)23(20,21)18-15-8-5-7-14(11-15)17(19)12-22-2/h4-11,17-19H,3,12H2,1-2H3
InChIKeyIGDPFUFBFGODNJ-UHFFFAOYSA-N
XLogP2.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide
CID 174636480
2-methoxy-1-(3-methylsulfonylphenyl)ethanol
CID 115819101
N-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide
CID 25046021
4-[(3-ethylphenyl)sulfonylamino]-2,6-difluorobenzoic acid
CID 139010819
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527
4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide
CID 60641368
N-[(2R)-butan-2-yl]-3-[(4-ethylphenyl)sulfonylamino]benzenesulfonamide
CID 124587750
N-(3-ethylphenyl)-2-oxobenzimidazole-5-sulfonamide
CID 164745289
1-(3-ethylphenyl)-3-methoxy-2-methylpropan-1-ol
CID 116502579
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 118346578
3-[(3-propylphenyl)sulfonylamino]benzoic acid
CID 171621009

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[3-(1-hydroxy-2-methoxyethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-ethyl-N-[3-(1-hydroxy-2-methoxyethyl)phenyl]benzenesulfonamide (CID 126815984) is 3-ethyl-N-[3-(1-hydroxy-2-methoxyethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-ethyl-N-[3-(1-hydroxy-2-methoxyethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-ethyl-N-[3-(1-hydroxy-2-methoxyethyl)phenyl]benzenesulfonamide is CCc1cccc(S(=O)(=O)Nc2cccc(C(O)COC)c2)c1.
What is the InChIKey of 3-ethyl-N-[3-(1-hydroxy-2-methoxyethyl)phenyl]benzenesulfonamide?
The InChIKey is IGDPFUFBFGODNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-3-13-6-4-9-16(10-13)23(20,21)18-15-8-5-7-14(11-15)17(19)12-22-2/h4-11,17-19H,3,12H2,1-2H3.
What are the key properties of 3-ethyl-N-[3-(1-hydroxy-2-methoxyethyl)phenyl]benzenesulfonamide?
3-ethyl-N-[3-(1-hydroxy-2-methoxyethyl)phenyl]benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[3-(1-hydroxy-2-methoxyethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 126815984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).