N-bis(2-methoxyethyl)benzenesulfonamide

C12H19NO4S — CID 53511294

IUPACN,N-bis(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)C1=CC=CC=C1
InChIInChI=1S/C12H19NO4S/c1-16-10-8-13(9-11-17-2)18(14,15)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyPYCCTUYUYSSWGM-UHFFFAOYSA-N
MW273.35 g/mol
LogP0.80
Rot. Bonds8

About N-bis(2-methoxyethyl)benzenesulfonamide

N-bis(2-methoxyethyl)benzenesulfonamide (PubChem CID 53511294) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-bis(2-methoxyethyl)benzenesulfonamide
PubChem CID53511294
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN,N-bis(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)C1=CC=CC=C1
InChIInChI=1S/C12H19NO4S/c1-16-10-8-13(9-11-17-2)18(14,15)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyPYCCTUYUYSSWGM-UHFFFAOYSA-N
XLogP0.80
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity299

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-Diethylbenzenesulfonamide
CID 74367
n,n-Dibutylbenzenesulfonamide
CID 220596
4-(Phenylsulfonyl)morpholine
CID 95050
N-butyl-N-ethylbenzenesulfonamide
CID 2164635
2,6-Dimethyl-4-(phenylsulfonyl)morpholine
CID 2849564
2,2'-(Phenylsulfonylimino)diethyl bis(benzenesulfonate)
CID 257110
N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 2905384
N-(2-methoxyethyl)benzenesulfonamide
CID 3136232
2-[Benzenesulfonyl(3-methoxypropyl)amino]acetic acid
CID 2128688
Ethanol, 2,2',2''-nitrilotris-, benzenesulfonate (1:1)
CID 163223
4-((2-Fluorophenyl)sulfonyl)morpholine
CID 697731
4-((4-Fluorophenyl)sulfonyl)morpholine
CID 755377

Frequently Asked Questions

What is the IUPAC name of N-bis(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of N-bis(2-methoxyethyl)benzenesulfonamide (CID 53511294) is N,N-bis(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for N-bis(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for N-bis(2-methoxyethyl)benzenesulfonamide is COCCN(CCOC)S(=O)(=O)C1=CC=CC=C1.
What is the InChIKey of N-bis(2-methoxyethyl)benzenesulfonamide?
The InChIKey is PYCCTUYUYSSWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-16-10-8-13(9-11-17-2)18(14,15)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3.
What are the key properties of N-bis(2-methoxyethyl)benzenesulfonamide?
N-bis(2-methoxyethyl)benzenesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 0.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 53511294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).