N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide

C14H19N3O2S2 — CID 106048432

IUPACN-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCCc2csc(C)n2)cc1
InChIInChI=1S/C14H19N3O2S2/c1-3-16-21(18,19)14-6-4-12(5-7-14)15-9-8-13-10-20-11(2)17-13/h4-7,10,15-16H,3,8-9H2,1-2H3
InChIKeyQZSBEWWEPAOBCM-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.40
Rot. Bonds7

About N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide

N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide (PubChem CID 106048432) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
PubChem CID106048432
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCCc2csc(C)n2)cc1
InChIInChI=1S/C14H19N3O2S2/c1-3-16-21(18,19)14-6-4-12(5-7-14)15-9-8-13-10-20-11(2)17-13/h4-7,10,15-16H,3,8-9H2,1-2H3
InChIKeyQZSBEWWEPAOBCM-UHFFFAOYSA-N
XLogP2.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide
CID 3243012
N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 43742551
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 114139058
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide
CID 18554591
2-(2-methyl-1,3-thiazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 134063109
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60904045
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide
CID 106049680
4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 51125777
N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 61283817
4-cyano-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106832986

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide (CID 106048432) is N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide is CCNS(=O)(=O)c1ccc(NCCc2csc(C)n2)cc1.
What is the InChIKey of N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide?
The InChIKey is QZSBEWWEPAOBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-3-16-21(18,19)14-6-4-12(5-7-14)15-9-8-13-10-20-11(2)17-13/h4-7,10,15-16H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide?
N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 106048432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).