N-(4-amino-3-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C11H12ClN3O3S — CID 43604495

IUPACN-(4-amino-3-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)Nc2ccc(N)c(Cl)c2)no1
InChIInChI=1S/C11H12ClN3O3S/c1-7-4-9(14-18-7)6-19(16,17)15-8-2-3-11(13)10(12)5-8/h2-5,15H,6,13H2,1H3
InChIKeyAXOGSVWVYANRRD-UHFFFAOYSA-N
MW301.76 g/mol
LogP2.16
Rot. Bonds4

About N-(4-amino-3-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-(4-amino-3-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 43604495) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.76 g/mol. Its IUPAC name is N-(4-amino-3-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID43604495
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.76 g/mol
Exact Mass301.03
IUPAC NameN-(4-amino-3-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)Nc2ccc(N)c(Cl)c2)no1
InChIInChI=1S/C11H12ClN3O3S/c1-7-4-9(14-18-7)6-19(16,17)15-8-2-3-11(13)10(12)5-8/h2-5,15H,6,13H2,1H3
InChIKeyAXOGSVWVYANRRD-UHFFFAOYSA-N
XLogP2.16
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43605050
N-(6-bromo-3-pyridinyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 103895771
N-(3-chloro-2-pyridinyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 113356222
N-(5-amino-2-pyridinyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43144678
1-(5-methyl-1,2-oxazol-3-yl)-N-(1H-pyrazol-5-yl)methanesulfonamide
CID 61394269
2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid
CID 107339792
N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43258971
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 60812914
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid
CID 28787877
N-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 71906050
N-(2-hydroxy-3-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 79601438
N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43133689

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-(4-amino-3-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 43604495) is N-(4-amino-3-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(4-amino-3-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(4-amino-3-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1cc(CS(=O)(=O)Nc2ccc(N)c(Cl)c2)no1.
What is the InChIKey of N-(4-amino-3-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is AXOGSVWVYANRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c1-7-4-9(14-18-7)6-19(16,17)15-8-2-3-11(13)10(12)5-8/h2-5,15H,6,13H2,1H3.
What are the key properties of N-(4-amino-3-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-(4-amino-3-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 301.76 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 43604495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).