1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide

C15H19N3O3S — CID 95344226

IUPAC1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide
SMILESCc1ccc(-n2cc(S(=O)(=O)NC[C@H]3CCCO3)cn2)cc1
InChIInChI=1S/C15H19N3O3S/c1-12-4-6-13(7-5-12)18-11-15(10-16-18)22(19,20)17-9-14-3-2-8-21-14/h4-7,10-11,14,17H,2-3,8-9H2,1H3/t14-/m1/s1
InChIKeyYCCVQVMQBUYDJQ-CQSZACIVSA-N
MW321.40 g/mol
LogP1.64
Rot. Bonds5

About 1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide

1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide (PubChem CID 95344226) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide
PubChem CID95344226
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide
SMILESCc1ccc(-n2cc(S(=O)(=O)NC[C@H]3CCCO3)cn2)cc1
InChIInChI=1S/C15H19N3O3S/c1-12-4-6-13(7-5-12)18-11-15(10-16-18)22(19,20)17-9-14-3-2-8-21-14/h4-7,10-11,14,17H,2-3,8-9H2,1H3/t14-/m1/s1
InChIKeyYCCVQVMQBUYDJQ-CQSZACIVSA-N
XLogP1.64
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 110865617
1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide
CID 30842118
6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide
CID 7124105
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 1025737
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
[2-(4-methylphenyl)-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42983106
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2939658
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
4-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2225767
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1460149

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide (CID 95344226) is 1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide is Cc1ccc(-n2cc(S(=O)(=O)NC[C@H]3CCCO3)cn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide?
The InChIKey is YCCVQVMQBUYDJQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-12-4-6-13(7-5-12)18-11-15(10-16-18)22(19,20)17-9-14-3-2-8-21-14/h4-7,10-11,14,17H,2-3,8-9H2,1H3/t14-/m1/s1.
What are the key properties of 1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide?
1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide has a molecular weight of 321.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 95344226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).