N-benzyl-5-ethyl-2-methoxybenzenesulfonamide

C16H19NO3S — CID 847868

IUPACN-benzyl-5-ethyl-2-methoxybenzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C16H19NO3S/c1-3-13-9-10-15(20-2)16(11-13)21(18,19)17-12-14-7-5-4-6-8-14/h4-11,17H,3,12H2,1-2H3
InChIKeyNLJWDYILXHVYMJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.74
Rot. Bonds6

About N-benzyl-5-ethyl-2-methoxybenzenesulfonamide

N-benzyl-5-ethyl-2-methoxybenzenesulfonamide (PubChem CID 847868) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-benzyl-5-ethyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-5-ethyl-2-methoxybenzenesulfonamide
PubChem CID847868
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-benzyl-5-ethyl-2-methoxybenzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C16H19NO3S/c1-3-13-9-10-15(20-2)16(11-13)21(18,19)17-12-14-7-5-4-6-8-14/h4-11,17H,3,12H2,1-2H3
InChIKeyNLJWDYILXHVYMJ-UHFFFAOYSA-N
XLogP2.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861
N-benzyl-5-iodo-2-methoxybenzenesulfonamide
CID 1325962
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909
5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267842
N-[(5-benzoylthiophen-2-yl)methyl]-5-ethyl-2-methoxybenzenesulfonamide
CID 90613047
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide
CID 15943814
N-benzyl-5-chloro-2-ethoxybenzenesulfonamide
CID 2992012

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-ethyl-2-methoxybenzenesulfonamide?
The IUPAC name of N-benzyl-5-ethyl-2-methoxybenzenesulfonamide (CID 847868) is N-benzyl-5-ethyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-5-ethyl-2-methoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-5-ethyl-2-methoxybenzenesulfonamide is CCc1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-5-ethyl-2-methoxybenzenesulfonamide?
The InChIKey is NLJWDYILXHVYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-3-13-9-10-15(20-2)16(11-13)21(18,19)17-12-14-7-5-4-6-8-14/h4-11,17H,3,12H2,1-2H3.
What are the key properties of N-benzyl-5-ethyl-2-methoxybenzenesulfonamide?
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-ethyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 847868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).