4-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydrochloride

C13H17Cl2N3O2S2 — CID 3055036

IUPAC4-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydrochloride
SMILESCN(C)CCc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)s1.Cl
InChIInChI=1S/C13H16ClN3O2S2.ClH/c1-17(2)8-7-11-9-15-13(20-11)16-21(18,19)12-5-3-10(14)4-6-12;/h3-6,9H,7-8H2,1-2H3,(H,15,16);1H
InChIKeyRYKUGLLGZYCVGA-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.12
Rot. Bonds6

About 4-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydrochloride

4-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydrochloride (PubChem CID 3055036) has the molecular formula C13H17Cl2N3O2S2 and a molecular weight of 382.34 g/mol. Its IUPAC name is 4-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydrochloride
PubChem CID3055036
Molecular FormulaC13H17Cl2N3O2S2
Molecular Weight382.34 g/mol
Exact Mass381.01
IUPAC Name4-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydrochloride
SMILESCN(C)CCc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)s1.Cl
InChIInChI=1S/C13H16ClN3O2S2.ClH/c1-17(2)8-7-11-9-15-13(20-11)16-21(18,19)12-5-3-10(14)4-6-12;/h3-6,9H,7-8H2,1-2H3,(H,15,16);1H
InChIKeyRYKUGLLGZYCVGA-UHFFFAOYSA-N
XLogP3.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydrochloride (CID 3055036) is 4-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydrochloride is CN(C)CCc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)s1.Cl.
What is the InChIKey of 4-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydrochloride?
The InChIKey is RYKUGLLGZYCVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S2.ClH/c1-17(2)8-7-11-9-15-13(20-11)16-21(18,19)12-5-3-10(14)4-6-12;/h3-6,9H,7-8H2,1-2H3,(H,15,16);1H.
What are the key properties of 4-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydrochloride?
4-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydrochloride has a molecular weight of 382.34 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 3055036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).