N-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide

C13H22N2O3S — CID 71677774

IUPACN-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C13H22N2O3S/c1-4-15(5-2)10-9-14-19(16,17)13-8-6-7-12(11-13)18-3/h6-8,11,14H,4-5,9-10H2,1-3H3
InChIKeyUWYTYLDQZQFXBP-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.32
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide

N-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide (PubChem CID 71677774) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide
PubChem CID71677774
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C13H22N2O3S/c1-4-15(5-2)10-9-14-19(16,17)13-8-6-7-12(11-13)18-3/h6-8,11,14H,4-5,9-10H2,1-3H3
InChIKeyUWYTYLDQZQFXBP-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-((4-Methoxyphenyl)sulfonyl)piperazine
CID 797560
1-(2,5-Dimethoxybenzenesulfonyl)piperazine
CID 2758389
1-[(4-Methoxyphenyl)sulfonyl]-4-methylpiperazine
CID 676048
1-Ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
N-ethyl-2,5-dimethoxybenzenesulfonamide
CID 729552
3-Methoxybenzene-1-sulfonamide
CID 14763060
2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2931143
5-Fluoro-2-methoxy-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 6487446
N,N-diethyl-4-{2-[(methylsulfonyl)amino]ethoxy}benzenesulfonamide
CID 4919367
N-butyl-4-methoxybenzenesulfonamide
CID 2447451
(2-Methoxy-isopropyl)[(4-methoxyphenyl)sulfonyl]amine
CID 2904487
N-[(3R)-1-cyano-3-pyrrolidinyl]-2,5-bis(methyloxy)benzenesulfonamide
CID 44464926

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide (CID 71677774) is N-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1cccc(OC)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide?
The InChIKey is UWYTYLDQZQFXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-4-15(5-2)10-9-14-19(16,17)13-8-6-7-12(11-13)18-3/h6-8,11,14H,4-5,9-10H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide?
N-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 71677774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).