3-chloro-N-[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide

C14H18ClN3O3S2 — CID 11280314

IUPAC3-chloro-N-[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCNCCO)cs1
InChIInChI=1S/C14H18ClN3O3S2/c1-10-12(15)3-2-4-13(10)23(20,21)18-14-17-11(9-22-14)5-6-16-7-8-19/h2-4,9,16,19H,5-8H2,1H3,(H,17,18)
InChIKeyIBCZFVVJSBMGBI-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.03
Rot. Bonds8

About 3-chloro-N-[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide

3-chloro-N-[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (PubChem CID 11280314) has the molecular formula C14H18ClN3O3S2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 3-chloro-N-[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
PubChem CID11280314
Molecular FormulaC14H18ClN3O3S2
Molecular Weight375.90 g/mol
Exact Mass375.05
IUPAC Name3-chloro-N-[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCNCCO)cs1
InChIInChI=1S/C14H18ClN3O3S2/c1-10-12(15)3-2-4-13(10)23(20,21)18-14-17-11(9-22-14)5-6-16-7-8-19/h2-4,9,16,19H,5-8H2,1H3,(H,17,18)
InChIKeyIBCZFVVJSBMGBI-UHFFFAOYSA-N
XLogP2.03
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (CID 11280314) is 3-chloro-N-[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCNCCO)cs1.
What is the InChIKey of 3-chloro-N-[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The InChIKey is IBCZFVVJSBMGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3S2/c1-10-12(15)3-2-4-13(10)23(20,21)18-14-17-11(9-22-14)5-6-16-7-8-19/h2-4,9,16,19H,5-8H2,1H3,(H,17,18).
What are the key properties of 3-chloro-N-[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
3-chloro-N-[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 375.90 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 11280314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).