2,4,6-trimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide

C17H23N3O3S — CID 71810290

IUPAC2,4,6-trimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)c(C)c1
InChIInChI=1S/C17H23N3O3S/c1-12-8-13(2)17(14(3)9-12)24(21,22)19-15-10-18-20(11-15)16-4-6-23-7-5-16/h8-11,16,19H,4-7H2,1-3H3
InChIKeyJHGUBMNLJIMIRU-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.96
Rot. Bonds4

About 2,4,6-trimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide

2,4,6-trimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 71810290) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
PubChem CID71810290
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2,4,6-trimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)c(C)c1
InChIInChI=1S/C17H23N3O3S/c1-12-8-13(2)17(14(3)9-12)24(21,22)19-15-10-18-20(11-15)16-4-6-23-7-5-16/h8-11,16,19H,4-7H2,1-3H3
InChIKeyJHGUBMNLJIMIRU-UHFFFAOYSA-N
XLogP2.96
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpyrazol-4-yl)-1-(oxan-2-yl)methanesulfonamide
CID 56794915
3,4-dimethyl-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810293
4-acetyl-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810301
2,6-difluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810303
3,4-difluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810311
4-cyano-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810315
N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-1-(m-tolyl)methanesulfonamide
CID 71810307
(E)-N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)-2-(p-tolyl)ethenesulfonamide
CID 72719677
(5,6,7,8-tetrahydro-2-naphthylsulfonyl){1-[(S)-perhydro-3-furyl]-4-pyrazolyl}amine
CID 97428254
4-methyl-N-{1-[(2,2,2-trifluoroethoxy)methyl]-1H-pyrazol-4-yl}benzenesulfonamide
CID 19582211
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethylbenzenesulfonamide
CID 22202050
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22202072

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (CID 71810290) is 2,4,6-trimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is JHGUBMNLJIMIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12-8-13(2)17(14(3)9-12)24(21,22)19-15-10-18-20(11-15)16-4-6-23-7-5-16/h8-11,16,19H,4-7H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
2,4,6-trimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 71810290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).