N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide

C13H17N3O4S2 — CID 110717920

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2csc(N)n2)c(OC)c1
InChIInChI=1S/C13H17N3O4S2/c1-19-10-3-4-12(11(7-10)20-2)22(17,18)15-6-5-9-8-21-13(14)16-9/h3-4,7-8,15H,5-6H2,1-2H3,(H2,14,16)
InChIKeyKVXWNVTYYZHGHB-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.26
Rot. Bonds7

About N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 110717920) has the molecular formula C13H17N3O4S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
PubChem CID110717920
Molecular FormulaC13H17N3O4S2
Molecular Weight343.43 g/mol
Exact Mass343.07
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2csc(N)n2)c(OC)c1
InChIInChI=1S/C13H17N3O4S2/c1-19-10-3-4-12(11(7-10)20-2)22(17,18)15-6-5-9-8-21-13(14)16-9/h3-4,7-8,15H,5-6H2,1-2H3,(H2,14,16)
InChIKeyKVXWNVTYYZHGHB-UHFFFAOYSA-N
XLogP1.26
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 112500676
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110718090
2,5-dimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 90572267
2,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320320
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113102102
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 17435586
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide
CID 110717928
2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide
CID 110398405
N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 62664941
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-chloro-4-methylbenzenesulfonamide
CID 110717932
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid
CID 79469582

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide (CID 110717920) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2csc(N)n2)c(OC)c1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is KVXWNVTYYZHGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S2/c1-19-10-3-4-12(11(7-10)20-2)22(17,18)15-6-5-9-8-21-13(14)16-9/h3-4,7-8,15H,5-6H2,1-2H3,(H2,14,16).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 343.43 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 110717920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).