4-(3,5-dimethylpyrazole-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

C17H21N3O4S — CID 2946188

IUPAC4-(3,5-dimethylpyrazole-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)n(C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)n1
InChIInChI=1S/C17H21N3O4S/c1-12-10-13(2)20(19-12)17(21)14-5-7-16(8-6-14)25(22,23)18-11-15-4-3-9-24-15/h5-8,10,15,18H,3-4,9,11H2,1-2H3
InChIKeyBZHPSGBFVPZZNA-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.65
Rot. Bonds5

About 4-(3,5-dimethylpyrazole-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

4-(3,5-dimethylpyrazole-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 2946188) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazole-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazole-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID2946188
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name4-(3,5-dimethylpyrazole-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)n(C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)n1
InChIInChI=1S/C17H21N3O4S/c1-12-10-13(2)20(19-12)17(21)14-5-7-16(8-6-14)25(22,23)18-11-15-4-3-9-24-15/h5-8,10,15,18H,3-4,9,11H2,1-2H3
InChIKeyBZHPSGBFVPZZNA-UHFFFAOYSA-N
XLogP1.65
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethyl-1H-pyrazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone
CID 975014
4-({3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]phenyl}sulfonyl)morpholine
CID 1526370
3,5-Dimethylpyrazolyl 3-(pyrrolidinylsulfonyl)phenyl ketone
CID 2130720
4-{[1-(3-fluorobenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}morpholine
CID 16029645
2-(3-methyl-5-phenylpyrazole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 155556415
4-[(1-benzoyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine
CID 16029609
4-{[3,5-dimethyl-1-(3-methylbenzoyl)-1H-pyrazol-4-yl]sulfonyl}morpholine
CID 16029612
4-{[1-(2-fluorobenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}morpholine
CID 16029641
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 24982266
(3,5-dimethyl-1H-pyrazol-1-yl)(4-(morpholinosulfonyl)phenyl)methanone
CID 711749
4-({5-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-2-methylphenyl}sulfonyl)morpholine
CID 1248973
1-[4-(3,5-Dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea
CID 13224087

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazole-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(3,5-dimethylpyrazole-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 2946188) is 4-(3,5-dimethylpyrazole-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazole-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(3,5-dimethylpyrazole-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is Cc1cc(C)n(C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazole-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is BZHPSGBFVPZZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-12-10-13(2)20(19-12)17(21)14-5-7-16(8-6-14)25(22,23)18-11-15-4-3-9-24-15/h5-8,10,15,18H,3-4,9,11H2,1-2H3.
What are the key properties of 4-(3,5-dimethylpyrazole-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
4-(3,5-dimethylpyrazole-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazole-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2946188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).