N,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide

C14H19N3O5S2 — CID 113094567

IUPACN,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)c1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H19N3O5S2/c1-10-14(11(2)22-15-10)24(20,21)17(4)13-8-6-12(7-9-13)16(3)23(5,18)19/h6-9H,1-5H3
InChIKeyKBWKMJBULHYEBS-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.51
Rot. Bonds5

About N,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide

N,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide (PubChem CID 113094567) has the molecular formula C14H19N3O5S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide
PubChem CID113094567
Molecular FormulaC14H19N3O5S2
Molecular Weight373.46 g/mol
Exact Mass373.08
IUPAC NameN,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)c1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H19N3O5S2/c1-10-14(11(2)22-15-10)24(20,21)17(4)13-8-6-12(7-9-13)16(3)23(5,18)19/h6-9H,1-5H3
InChIKeyKBWKMJBULHYEBS-UHFFFAOYSA-N
XLogP1.51
TPSA100.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 20851644
propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide
CID 170621891
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 110752992
N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 35527395
N-(9,9a-dihydro-4aH-pyrido[2,3-b]indol-6-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 71221289
N,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 58624073
N-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide
CID 63233772
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetic acid
CID 3453928
N-cyclohexyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 2814174
N-(1,3-benzodioxol-5-ylmethyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 43029551
N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 46458732
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
CID 27687531

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide (CID 113094567) is N,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(C)c1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of N,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is KBWKMJBULHYEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5S2/c1-10-14(11(2)22-15-10)24(20,21)17(4)13-8-6-12(7-9-13)16(3)23(5,18)19/h6-9H,1-5H3.
What are the key properties of N,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide?
N,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 373.46 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113094567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).