4-butyl-N-(1-cyclohexyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide

C23H29N3O2S2 — CID 67174375

IUPAC4-butyl-N-(1-cyclohexyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)nn2C2CCCCC2)cc1
InChIInChI=1S/C23H29N3O2S2/c1-2-3-8-18-12-14-20(15-13-18)30(27,28)25-23-17-21(22-11-7-16-29-22)24-26(23)19-9-5-4-6-10-19/h7,11-17,19,25H,2-6,8-10H2,1H3
InChIKeyAHBMNHDKVLAGSE-UHFFFAOYSA-N
MW443.64 g/mol
LogP6.26
Rot. Bonds8

About 4-butyl-N-(1-cyclohexyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide

4-butyl-N-(1-cyclohexyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide (PubChem CID 67174375) has the molecular formula C23H29N3O2S2 and a molecular weight of 443.64 g/mol. Its IUPAC name is 4-butyl-N-(1-cyclohexyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-(1-cyclohexyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
PubChem CID67174375
Molecular FormulaC23H29N3O2S2
Molecular Weight443.64 g/mol
Exact Mass443.17
IUPAC Name4-butyl-N-(1-cyclohexyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)nn2C2CCCCC2)cc1
InChIInChI=1S/C23H29N3O2S2/c1-2-3-8-18-12-14-20(15-13-18)30(27,28)25-23-17-21(22-11-7-16-29-22)24-26(23)19-9-5-4-6-10-19/h7,11-17,19,25H,2-6,8-10H2,1H3
InChIKeyAHBMNHDKVLAGSE-UHFFFAOYSA-N
XLogP6.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.64
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-butyl-N-[1-(4-butylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 67173912
4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 67173092
5-[(4-butylphenyl)sulfonylmethyl]-1-methyl-3-thiophen-2-ylpyrazole
CID 158457104
4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
CID 4995607
1-cyclopentyl-3-thiophen-2-ylpyrazol-5-amine
CID 61272800
4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 67174142
N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-4-ethylbenzenesulfonamide
CID 42175097
N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-4-ethylbenzenesulfonamide
CID 42175098
4-butyl-N-[3-(thiophen-2-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]benzenesulfonamide
CID 46882350
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide
CID 90556119
N-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide
CID 67173926
N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-4-ethylbenzenesulfonamide
CID 42175110

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(1-cyclohexyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-butyl-N-(1-cyclohexyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide (CID 67174375) is 4-butyl-N-(1-cyclohexyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-(1-cyclohexyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-butyl-N-(1-cyclohexyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide is CCCCc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)nn2C2CCCCC2)cc1.
What is the InChIKey of 4-butyl-N-(1-cyclohexyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide?
The InChIKey is AHBMNHDKVLAGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S2/c1-2-3-8-18-12-14-20(15-13-18)30(27,28)25-23-17-21(22-11-7-16-29-22)24-26(23)19-9-5-4-6-10-19/h7,11-17,19,25H,2-6,8-10H2,1H3.
What are the key properties of 4-butyl-N-(1-cyclohexyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide?
4-butyl-N-(1-cyclohexyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide has a molecular weight of 443.64 g/mol, XLogP of 6.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(1-cyclohexyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 67174375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).