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

C12H15ClN4O3S — CID 106413633

IUPAC5-amino-4-chloro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2cc(N)c(Cl)cc2C)no1
InChIInChI=1S/C12H15ClN4O3S/c1-7-5-9(13)10(14)6-11(7)21(18,19)15-4-3-12-16-8(2)20-17-12/h5-6,15H,3-4,14H2,1-2H3
InChIKeyNUJKODJEULVAQE-UHFFFAOYSA-N
MW330.80 g/mol
LogP1.44
Rot. Bonds5

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

5-amino-4-chloro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 106413633) has the molecular formula C12H15ClN4O3S and a molecular weight of 330.80 g/mol. Its IUPAC name is 5-amino-4-chloro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-chloro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
PubChem CID106413633
Molecular FormulaC12H15ClN4O3S
Molecular Weight330.80 g/mol
Exact Mass330.06
IUPAC Name5-amino-4-chloro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2cc(N)c(Cl)cc2C)no1
InChIInChI=1S/C12H15ClN4O3S/c1-7-5-9(13)10(14)6-11(7)21(18,19)15-4-3-12-16-8(2)20-17-12/h5-6,15H,3-4,14H2,1-2H3
InChIKeyNUJKODJEULVAQE-UHFFFAOYSA-N
XLogP1.44
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413667
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 104859220
5-amino-4-bromo-2-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413590
4-amino-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413600
2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 113239631
3-amino-2,4-difluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413593
3-[2-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108751
3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106391987
5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide
CID 106233651
2-amino-4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106391941
5-amino-4-chloro-N-(2-methoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 104758539
5-amino-4-chloro-N-hex-5-ynyl-2-methylbenzenesulfonamide
CID 106208464

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-amino-4-chloro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide (CID 106413633) is 5-amino-4-chloro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-4-chloro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-amino-4-chloro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide is Cc1nc(CCNS(=O)(=O)c2cc(N)c(Cl)cc2C)no1.
What is the InChIKey of 5-amino-4-chloro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is NUJKODJEULVAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O3S/c1-7-5-9(13)10(14)6-11(7)21(18,19)15-4-3-12-16-8(2)20-17-12/h5-6,15H,3-4,14H2,1-2H3.
What are the key properties of 5-amino-4-chloro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
5-amino-4-chloro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 330.80 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106413633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).