N-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide

C18H23NO3S — CID 2234187

IUPACN-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide
SMILESCCOc1ccc(C(C)C)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C18H23NO3S/c1-4-22-17-11-10-16(14(2)3)12-18(17)23(20,21)19-13-15-8-6-5-7-9-15/h5-12,14,19H,4,13H2,1-3H3
InChIKeyLLAHHLKSCKVSRY-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.69
Rot. Bonds7

About N-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide

N-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide (PubChem CID 2234187) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide
PubChem CID2234187
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide
SMILESCCOc1ccc(C(C)C)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C18H23NO3S/c1-4-22-17-11-10-16(14(2)3)12-18(17)23(20,21)19-13-15-8-6-5-7-9-15/h5-12,14,19H,4,13H2,1-3H3
InChIKeyLLAHHLKSCKVSRY-UHFFFAOYSA-N
XLogP3.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-chloro-2-ethoxybenzenesulfonamide
CID 2992012
2-ethoxy-5-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 91670292
2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide
CID 42226805
2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide
CID 91670271
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide
CID 15943814
5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 40665032
N-benzyl-5-iodo-2-methoxybenzenesulfonamide
CID 1325962
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide
CID 41241616
2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 61384326
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide (CID 2234187) is N-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide is CCOc1ccc(C(C)C)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide?
The InChIKey is LLAHHLKSCKVSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-4-22-17-11-10-16(14(2)3)12-18(17)23(20,21)19-13-15-8-6-5-7-9-15/h5-12,14,19H,4,13H2,1-3H3.
What are the key properties of N-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide?
N-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 2234187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).