6-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-sulfonamide

C14H19ClN4O2S2 — CID 110357242

IUPAC6-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-sulfonamide
SMILESCCN(CC)Cc1csc(CNS(=O)(=O)c2ccc(Cl)nc2)n1
InChIInChI=1S/C14H19ClN4O2S2/c1-3-19(4-2)9-11-10-22-14(18-11)8-17-23(20,21)12-5-6-13(15)16-7-12/h5-7,10,17H,3-4,8-9H2,1-2H3
InChIKeyUADYWWPZCUJAHX-UHFFFAOYSA-N
MW374.92 g/mol
LogP2.51
Rot. Bonds8

About 6-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-sulfonamide

6-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-sulfonamide (PubChem CID 110357242) has the molecular formula C14H19ClN4O2S2 and a molecular weight of 374.92 g/mol. Its IUPAC name is 6-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-sulfonamide
PubChem CID110357242
Molecular FormulaC14H19ClN4O2S2
Molecular Weight374.92 g/mol
Exact Mass374.06
IUPAC Name6-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-sulfonamide
SMILESCCN(CC)Cc1csc(CNS(=O)(=O)c2ccc(Cl)nc2)n1
InChIInChI=1S/C14H19ClN4O2S2/c1-3-19(4-2)9-11-10-22-14(18-11)8-17-23(20,21)12-5-6-13(15)16-7-12/h5-7,10,17H,3-4,8-9H2,1-2H3
InChIKeyUADYWWPZCUJAHX-UHFFFAOYSA-N
XLogP2.51
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 110359602
2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359527
ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359539
6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide
CID 35387073
6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 826869
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 115613422
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide
CID 110357262
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 62158645
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106833700
2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide
CID 61284804
6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 107271026

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-sulfonamide (CID 110357242) is 6-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-sulfonamide is CCN(CC)Cc1csc(CNS(=O)(=O)c2ccc(Cl)nc2)n1.
What is the InChIKey of 6-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-sulfonamide?
The InChIKey is UADYWWPZCUJAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2S2/c1-3-19(4-2)9-11-10-22-14(18-11)8-17-23(20,21)12-5-6-13(15)16-7-12/h5-7,10,17H,3-4,8-9H2,1-2H3.
What are the key properties of 6-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-sulfonamide?
6-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-sulfonamide has a molecular weight of 374.92 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 110357242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).