4-(3-cyclopropylpyrazol-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide

C21H26N6O2S — CID 75310760

IUPAC4-(3-cyclopropylpyrazol-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESCc1nncn1C1CCCC(NS(=O)(=O)c2ccc(-n3ccc(C4CC4)n3)cc2)C1
InChIInChI=1S/C21H26N6O2S/c1-15-23-22-14-26(15)19-4-2-3-17(13-19)25-30(28,29)20-9-7-18(8-10-20)27-12-11-21(24-27)16-5-6-16/h7-12,14,16-17,19,25H,2-6,13H2,1H3
InChIKeyADAQYGVAQIGHPF-UHFFFAOYSA-N
MW426.55 g/mol
LogP3.11
Rot. Bonds6

About 4-(3-cyclopropylpyrazol-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide

4-(3-cyclopropylpyrazol-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (PubChem CID 75310760) has the molecular formula C21H26N6O2S and a molecular weight of 426.55 g/mol. Its IUPAC name is 4-(3-cyclopropylpyrazol-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(3-cyclopropylpyrazol-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
PubChem CID75310760
Molecular FormulaC21H26N6O2S
Molecular Weight426.55 g/mol
Exact Mass426.18
IUPAC Name4-(3-cyclopropylpyrazol-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESCc1nncn1C1CCCC(NS(=O)(=O)c2ccc(-n3ccc(C4CC4)n3)cc2)C1
InChIInChI=1S/C21H26N6O2S/c1-15-23-22-14-26(15)19-4-2-3-17(13-19)25-30(28,29)20-9-7-18(8-10-20)27-12-11-21(24-27)16-5-6-16/h7-12,14,16-17,19,25H,2-6,13H2,1H3
InChIKeyADAQYGVAQIGHPF-UHFFFAOYSA-N
XLogP3.11
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylpyrazol-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-(3-cyclopropylpyrazol-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (CID 75310760) is 4-(3-cyclopropylpyrazol-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-(3-cyclopropylpyrazol-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-(3-cyclopropylpyrazol-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is Cc1nncn1C1CCCC(NS(=O)(=O)c2ccc(-n3ccc(C4CC4)n3)cc2)C1.
What is the InChIKey of 4-(3-cyclopropylpyrazol-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The InChIKey is ADAQYGVAQIGHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S/c1-15-23-22-14-26(15)19-4-2-3-17(13-19)25-30(28,29)20-9-7-18(8-10-20)27-12-11-21(24-27)16-5-6-16/h7-12,14,16-17,19,25H,2-6,13H2,1H3.
What are the key properties of 4-(3-cyclopropylpyrazol-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
4-(3-cyclopropylpyrazol-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide has a molecular weight of 426.55 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylpyrazol-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 75310760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).