5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide

C14H23ClN2O3S — CID 91669771

IUPAC5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cc(Cl)c(C)cc1OC
InChIInChI=1S/C14H23ClN2O3S/c1-5-17(6-2)8-7-16-21(18,19)14-10-12(15)11(3)9-13(14)20-4/h9-10,16H,5-8H2,1-4H3
InChIKeyUXYRCTCIORRXDG-UHFFFAOYSA-N
MW334.87 g/mol
LogP2.28
Rot. Bonds8

About 5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide

5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide (PubChem CID 91669771) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is 5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
PubChem CID91669771
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC Name5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cc(Cl)c(C)cc1OC
InChIInChI=1S/C14H23ClN2O3S/c1-5-17(6-2)8-7-16-21(18,19)14-10-12(15)11(3)9-13(14)20-4/h9-10,16H,5-8H2,1-4H3
InChIKeyUXYRCTCIORRXDG-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79961695
5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide
CID 110757907
N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110440475
5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide
CID 110446678
5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide
CID 15943823
2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide
CID 113066032
2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716586
4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 2243556
N-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide
CID 20936548
4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
CID 3046698
5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide
CID 934502
4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide;hydrochloride
CID 3046709

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide (CID 91669771) is 5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1cc(Cl)c(C)cc1OC.
What is the InChIKey of 5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is UXYRCTCIORRXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3S/c1-5-17(6-2)8-7-16-21(18,19)14-10-12(15)11(3)9-13(14)20-4/h9-10,16H,5-8H2,1-4H3.
What are the key properties of 5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide?
5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide has a molecular weight of 334.87 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 91669771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).