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

C13H16ClN3O2S2 — CID 75441285

IUPAC3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide
SMILESCC(NCCNS(=O)(=O)c1cccc(Cl)c1)c1nccs1
InChIInChI=1S/C13H16ClN3O2S2/c1-10(13-16-7-8-20-13)15-5-6-17-21(18,19)12-4-2-3-11(14)9-12/h2-4,7-10,15,17H,5-6H2,1H3
InChIKeyIKCAQOPFSRPXSP-UHFFFAOYSA-N
MW345.88 g/mol
LogP2.43
Rot. Bonds7

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

3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide (PubChem CID 75441285) has the molecular formula C13H16ClN3O2S2 and a molecular weight of 345.88 g/mol. Its IUPAC name is 3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide
PubChem CID75441285
Molecular FormulaC13H16ClN3O2S2
Molecular Weight345.88 g/mol
Exact Mass345.04
IUPAC Name3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide
SMILESCC(NCCNS(=O)(=O)c1cccc(Cl)c1)c1nccs1
InChIInChI=1S/C13H16ClN3O2S2/c1-10(13-16-7-8-20-13)15-5-6-17-21(18,19)12-4-2-3-11(14)9-12/h2-4,7-10,15,17H,5-6H2,1H3
InChIKeyIKCAQOPFSRPXSP-UHFFFAOYSA-N
XLogP2.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 81366500
(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
CID 119279126
3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 56558319
3-chloro-N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
CID 133335354
N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63598627
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
N-(2-bromopropyl)-3-chlorobenzenesulfonamide
CID 114295767
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 49460269
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide
CID 104585100
3-chloro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101307
N-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588659

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide (CID 75441285) is 3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide is CC(NCCNS(=O)(=O)c1cccc(Cl)c1)c1nccs1.
What is the InChIKey of 3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide?
The InChIKey is IKCAQOPFSRPXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S2/c1-10(13-16-7-8-20-13)15-5-6-17-21(18,19)12-4-2-3-11(14)9-12/h2-4,7-10,15,17H,5-6H2,1H3.
What are the key properties of 3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide?
3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide has a molecular weight of 345.88 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 75441285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).