4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide

C13H17N3O2S2 — CID 63824191

IUPAC4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCc2cscn2)cc1
InChIInChI=1S/C13H17N3O2S2/c1-2-7-14-11-3-5-13(6-4-11)20(17,18)16-8-12-9-19-10-15-12/h3-6,9-10,14,16H,2,7-8H2,1H3
InChIKeyWFUKGBVRFWQVJC-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.44
Rot. Bonds7

About 4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide

4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (PubChem CID 63824191) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
PubChem CID63824191
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCc2cscn2)cc1
InChIInChI=1S/C13H17N3O2S2/c1-2-7-14-11-3-5-13(6-4-11)20(17,18)16-8-12-9-19-10-15-12/h3-6,9-10,14,16H,2,7-8H2,1H3
InChIKeyWFUKGBVRFWQVJC-UHFFFAOYSA-N
XLogP2.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide 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

N-methyl-4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 62145861
4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824323
3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458302
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-(cyanomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 79195968
3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458470
4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63824991
N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide
CID 62147451
3-chloro-4-(ethylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 107091503
3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 107343564
4-amino-3-chloro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 113288438
2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide
CID 63823461

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (CID 63824191) is 4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)NCc2cscn2)cc1.
What is the InChIKey of 4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is WFUKGBVRFWQVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-2-7-14-11-3-5-13(6-4-11)20(17,18)16-8-12-9-19-10-15-12/h3-6,9-10,14,16H,2,7-8H2,1H3.
What are the key properties of 4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 63824191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).