N,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide

C14H18N2O3S — CID 22583148

IUPACN,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2coc(C)n2)cc1
InChIInChI=1S/C14H18N2O3S/c1-4-16(5-2)20(17,18)13-8-6-12(7-9-13)14-10-19-11(3)15-14/h6-10H,4-5H2,1-3H3
InChIKeyZXRNFFFQQQZETR-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.68
Rot. Bonds5

About N,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide

N,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (PubChem CID 22583148) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
PubChem CID22583148
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2coc(C)n2)cc1
InChIInChI=1S/C14H18N2O3S/c1-4-16(5-2)20(17,18)13-8-6-12(7-9-13)14-10-19-11(3)15-14/h6-10H,4-5H2,1-3H3
InChIKeyZXRNFFFQQQZETR-UHFFFAOYSA-N
XLogP2.68
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 120664173
N,N-diethyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958862
N,N-diethyl-4-trimethylsilylbenzenesulfonamide
CID 11254658
N,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 9343639
N,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 90168120
4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-N,N-diethylbenzenesulfonamide
CID 74230629
N-(3-ethoxy-2,2-dimethylpropyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 126802730
N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 9343482
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122354167
N,N-diethyl-4-(3-methoxy-6-methyl-2-pyridinyl)benzenesulfonamide
CID 72860009
4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide
CID 3582989
[4-(diethylsulfamoyl)phenyl]azanium
CID 163754929

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (CID 22583148) is N,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2coc(C)n2)cc1.
What is the InChIKey of N,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The InChIKey is ZXRNFFFQQQZETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-4-16(5-2)20(17,18)13-8-6-12(7-9-13)14-10-19-11(3)15-14/h6-10H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
N,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 22583148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).