4-butyl-N-[3-(2-methoxyphenyl)-1-(2-methylphenyl)pyrazol-5-yl]benzenesulfonamide

C27H29N3O3S — CID 67174049

IUPAC4-butyl-N-[3-(2-methoxyphenyl)-1-(2-methylphenyl)pyrazol-5-yl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3OC)nn2-c2ccccc2C)cc1
InChIInChI=1S/C27H29N3O3S/c1-4-5-11-21-15-17-22(18-16-21)34(31,32)29-27-19-24(23-12-7-9-14-26(23)33-3)28-30(27)25-13-8-6-10-20(25)2/h6-10,12-19,29H,4-5,11H2,1-3H3
InChIKeyBXRNKWXUUXVQHT-UHFFFAOYSA-N
MW475.61 g/mol
LogP6.00
Rot. Bonds9

About 4-butyl-N-[3-(2-methoxyphenyl)-1-(2-methylphenyl)pyrazol-5-yl]benzenesulfonamide

4-butyl-N-[3-(2-methoxyphenyl)-1-(2-methylphenyl)pyrazol-5-yl]benzenesulfonamide (PubChem CID 67174049) has the molecular formula C27H29N3O3S and a molecular weight of 475.61 g/mol. Its IUPAC name is 4-butyl-N-[3-(2-methoxyphenyl)-1-(2-methylphenyl)pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-[3-(2-methoxyphenyl)-1-(2-methylphenyl)pyrazol-5-yl]benzenesulfonamide
PubChem CID67174049
Molecular FormulaC27H29N3O3S
Molecular Weight475.61 g/mol
Exact Mass475.19
IUPAC Name4-butyl-N-[3-(2-methoxyphenyl)-1-(2-methylphenyl)pyrazol-5-yl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3OC)nn2-c2ccccc2C)cc1
InChIInChI=1S/C27H29N3O3S/c1-4-5-11-21-15-17-22(18-16-21)34(31,32)29-27-19-24(23-12-7-9-14-26(23)33-3)28-30(27)25-13-8-6-10-20(25)2/h6-10,12-19,29H,4-5,11H2,1-3H3
InChIKeyBXRNKWXUUXVQHT-UHFFFAOYSA-N
XLogP6.00
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.61
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[5-[(4-butylphenyl)sulfonylamino]-1-(2-methylphenyl)pyrazol-3-yl]phenyl] acetate
CID 67174220
5-[2-(4-butylphenyl)sulfonylethyl]-3-(2-methoxyphenyl)-1-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]pyrazole
CID 163502234
4-butyl-N-[1-(4-butylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 67173912
4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 67174142
4-butyl-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 22774048
4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 67173092
[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate
CID 67173775
N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide
CID 2975745
N-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide
CID 67173926
4-butyl-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]benzamide
CID 42730573
4-butyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771728
4-butyl-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 6413238

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[3-(2-methoxyphenyl)-1-(2-methylphenyl)pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-butyl-N-[3-(2-methoxyphenyl)-1-(2-methylphenyl)pyrazol-5-yl]benzenesulfonamide (CID 67174049) is 4-butyl-N-[3-(2-methoxyphenyl)-1-(2-methylphenyl)pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-[3-(2-methoxyphenyl)-1-(2-methylphenyl)pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-butyl-N-[3-(2-methoxyphenyl)-1-(2-methylphenyl)pyrazol-5-yl]benzenesulfonamide is CCCCc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3OC)nn2-c2ccccc2C)cc1.
What is the InChIKey of 4-butyl-N-[3-(2-methoxyphenyl)-1-(2-methylphenyl)pyrazol-5-yl]benzenesulfonamide?
The InChIKey is BXRNKWXUUXVQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3S/c1-4-5-11-21-15-17-22(18-16-21)34(31,32)29-27-19-24(23-12-7-9-14-26(23)33-3)28-30(27)25-13-8-6-10-20(25)2/h6-10,12-19,29H,4-5,11H2,1-3H3.
What are the key properties of 4-butyl-N-[3-(2-methoxyphenyl)-1-(2-methylphenyl)pyrazol-5-yl]benzenesulfonamide?
4-butyl-N-[3-(2-methoxyphenyl)-1-(2-methylphenyl)pyrazol-5-yl]benzenesulfonamide has a molecular weight of 475.61 g/mol, XLogP of 6.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[3-(2-methoxyphenyl)-1-(2-methylphenyl)pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67174049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).