3-chloro-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzenesulfonamide

C13H16ClN3O5S2 — CID 110345150

IUPAC3-chloro-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)CCNS(=O)(=O)c2ccc(C)c(Cl)c2)no1
InChIInChI=1S/C13H16ClN3O5S2/c1-9-3-4-11(8-12(9)14)24(20,21)15-5-6-23(18,19)17-13-7-10(2)22-16-13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyNRENMGGEQLOEDQ-UHFFFAOYSA-N
MW393.87 g/mol
LogP1.67
Rot. Bonds7

About 3-chloro-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzenesulfonamide

3-chloro-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzenesulfonamide (PubChem CID 110345150) has the molecular formula C13H16ClN3O5S2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzenesulfonamide
PubChem CID110345150
Molecular FormulaC13H16ClN3O5S2
Molecular Weight393.87 g/mol
Exact Mass393.02
IUPAC Name3-chloro-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)CCNS(=O)(=O)c2ccc(C)c(Cl)c2)no1
InChIInChI=1S/C13H16ClN3O5S2/c1-9-3-4-11(8-12(9)14)24(20,21)15-5-6-23(18,19)17-13-7-10(2)22-16-13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyNRENMGGEQLOEDQ-UHFFFAOYSA-N
XLogP1.67
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-chloro-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]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

2-(3,4-dichlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]acetamide
CID 53255442
3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 110359442
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370277
N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride
CID 119962113
3-chloro-4-methyl-N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]benzenesulfonamide
CID 110345304
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248
2-[2-chloro-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenoxy]acetamide
CID 100815540
N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzamide
CID 110345058
2-[(4-chlorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370274
4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 25049689

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzenesulfonamide (CID 110345150) is 3-chloro-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzenesulfonamide is Cc1cc(NS(=O)(=O)CCNS(=O)(=O)c2ccc(C)c(Cl)c2)no1.
What is the InChIKey of 3-chloro-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzenesulfonamide?
The InChIKey is NRENMGGEQLOEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O5S2/c1-9-3-4-11(8-12(9)14)24(20,21)15-5-6-23(18,19)17-13-7-10(2)22-16-13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 3-chloro-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzenesulfonamide?
3-chloro-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzenesulfonamide has a molecular weight of 393.87 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 110345150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).