N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]ethyl]benzenesulfonamide

C14H19N3O4S3 — CID 75379430

IUPACN-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]ethyl]benzenesulfonamide
SMILESCc1nc(CCNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C14H19N3O4S3/c1-12-17-13(11-22-12)7-8-15-23(18,19)10-9-16-24(20,21)14-5-3-2-4-6-14/h2-6,11,15-16H,7-10H2,1H3
InChIKeyHLGGTPKDAGGLNL-UHFFFAOYSA-N
MW389.52 g/mol
LogP0.89
Rot. Bonds9

About N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]ethyl]benzenesulfonamide

N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]ethyl]benzenesulfonamide (PubChem CID 75379430) has the molecular formula C14H19N3O4S3 and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]ethyl]benzenesulfonamide
PubChem CID75379430
Molecular FormulaC14H19N3O4S3
Molecular Weight389.52 g/mol
Exact Mass389.05
IUPAC NameN-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]ethyl]benzenesulfonamide
SMILESCc1nc(CCNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C14H19N3O4S3/c1-12-17-13(11-22-12)7-8-15-23(18,19)10-9-16-24(20,21)14-5-3-2-4-6-14/h2-6,11,15-16H,7-10H2,1H3
InChIKeyHLGGTPKDAGGLNL-UHFFFAOYSA-N
XLogP0.89
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]ethyl]benzenesulfonamide (CID 75379430) is N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]ethyl]benzenesulfonamide is Cc1nc(CCNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)cs1.
What is the InChIKey of N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]ethyl]benzenesulfonamide?
The InChIKey is HLGGTPKDAGGLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S3/c1-12-17-13(11-22-12)7-8-15-23(18,19)10-9-16-24(20,21)14-5-3-2-4-6-14/h2-6,11,15-16H,7-10H2,1H3.
What are the key properties of N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]ethyl]benzenesulfonamide?
N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]ethyl]benzenesulfonamide has a molecular weight of 389.52 g/mol, XLogP of 0.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 75379430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).