N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide

C22H22N4O3S — CID 20935774

IUPACN,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)N(C)Cc3cnn(-c4ccccc4)c3)c2)on1
InChIInChI=1S/C22H22N4O3S/c1-16-9-10-19(21-11-17(2)24-29-21)12-22(16)30(27,28)25(3)14-18-13-23-26(15-18)20-7-5-4-6-8-20/h4-13,15H,14H2,1-3H3
InChIKeyCWLPIJLKVALESY-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.96
Rot. Bonds6

About N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide

N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 20935774) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID20935774
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)N(C)Cc3cnn(-c4ccccc4)c3)c2)on1
InChIInChI=1S/C22H22N4O3S/c1-16-9-10-19(21-11-17(2)24-29-21)12-22(16)30(27,28)25(3)14-18-13-23-26(15-18)20-7-5-4-6-8-20/h4-13,15H,14H2,1-3H3
InChIKeyCWLPIJLKVALESY-UHFFFAOYSA-N
XLogP3.96
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4''-Pyrazol-1-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 22103787
5-methyl-4-{1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-5-yl}-3-phenylisoxazole
CID 2745600
3-(4-fluorophenyl)-5-methyl-4-(1-tosyl-1H-pyrazol-3-yl)isoxazole
CID 53384692
5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide
CID 2738186
5-methyl-3-phenyl-4-(1-tosyl-1H-pyrazol-3-yl)isoxazole
CID 53384691
4-(3-Methyl-5-isoxazolyl)-1-phenyl-3-(4-fluoro-phenyl)pyrazole
CID 56730846
3-(3-(4-Fluorophenyl)-1-phenyl-1h-pyrazol-4-yl)-5-(p-tolyl)isoxazole
CID 154702101
5-[2-(Benzenesulfonyl)pyrazol-3-yl]-3-phenyl-1,2-oxazole
CID 2745623
N-[4-(1,2-Oxazol-5-YL)phenyl]-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 6624888
2-Methyl-5-(3-methyl-1,2-oxazol-5-YL)-N-[(pyridin-3-YL)methyl]benzene-1-sulfonamide
CID 20934906
1-[2-Methyl-5-(3-methyl-1,2-oxazol-5-YL)benzenesulfonyl]-2,3-dihydro-1H-indole
CID 20934935
1-[2-Ethyl-5-(3-methyl-1,2-oxazol-5-YL)benzenesulfonyl]-2,3-dihydro-1H-indole
CID 20936348

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide (CID 20935774) is N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide is Cc1cc(-c2ccc(C)c(S(=O)(=O)N(C)Cc3cnn(-c4ccccc4)c3)c2)on1.
What is the InChIKey of N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is CWLPIJLKVALESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-16-9-10-19(21-11-17(2)24-29-21)12-22(16)30(27,28)25(3)14-18-13-23-26(15-18)20-7-5-4-6-8-20/h4-13,15H,14H2,1-3H3.
What are the key properties of N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 422.51 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 20935774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).