(E)-2-(4-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]ethenesulfonamide

C16H19N3O3S — CID 72719677

IUPAC(E)-2-(4-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2cnn(C3CCOC3)c2)cc1
InChIInChI=1S/C16H19N3O3S/c1-13-2-4-14(5-3-13)7-9-23(20,21)18-15-10-17-19(11-15)16-6-8-22-12-16/h2-5,7,9-11,16,18H,6,8,12H2,1H3/b9-7+
InChIKeyVDMSPMGNMVNNTP-VQHVLOKHSA-N
MW333.41 g/mol
LogP2.57
Rot. Bonds5

About (E)-2-(4-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]ethenesulfonamide

(E)-2-(4-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]ethenesulfonamide (PubChem CID 72719677) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (E)-2-(4-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]ethenesulfonamide
PubChem CID72719677
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(E)-2-(4-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2cnn(C3CCOC3)c2)cc1
InChIInChI=1S/C16H19N3O3S/c1-13-2-4-14(5-3-13)7-9-23(20,21)18-15-10-17-19(11-15)16-6-8-22-12-16/h2-5,7,9-11,16,18H,6,8,12H2,1H3/b9-7+
InChIKeyVDMSPMGNMVNNTP-VQHVLOKHSA-N
XLogP2.57
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.57
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
1-(2,5-difluorophenyl)-N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)methanesulfonamide
CID 72719682
[m-(trifluoromethyl)phenylsulfonyl]{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}amine
CID 97428248
2,4,6-trimethyl-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810290
N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-1-(m-tolyl)methanesulfonamide
CID 71810307
(3-chloro-2-tolylsulfonyl){1-[(S)-perhydro-3-furyl]-4-pyrazolyl}amine
CID 97428242
(5,6,7,8-tetrahydro-2-naphthylsulfonyl){1-[(S)-perhydro-3-furyl]-4-pyrazolyl}amine
CID 97428254
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
CID 97428220
2,5-difluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
CID 97428252
3-fluoro-4-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 60534419
2-fluoro-5-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 60534449
4-fluoro-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 60534507

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]ethenesulfonamide (CID 72719677) is (E)-2-(4-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)Nc2cnn(C3CCOC3)c2)cc1.
What is the InChIKey of (E)-2-(4-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]ethenesulfonamide?
The InChIKey is VDMSPMGNMVNNTP-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-13-2-4-14(5-3-13)7-9-23(20,21)18-15-10-17-19(11-15)16-6-8-22-12-16/h2-5,7,9-11,16,18H,6,8,12H2,1H3/b9-7+.
What are the key properties of (E)-2-(4-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]ethenesulfonamide?
(E)-2-(4-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]ethenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methylphenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]ethenesulfonamide is sourced from PubChem (CID 72719677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).