2-ethyl-4-(6-propan-2-yloxy-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide

C24H31N5O3S — CID 77164618

IUPAC2-ethyl-4-(6-propan-2-yloxy-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESCCc1cc(-c2ccc(OC(C)C)nc2)ccc1S(=O)(=O)NC1CCCC(n2cnnc2)C1
InChIInChI=1S/C24H31N5O3S/c1-4-18-12-19(20-9-11-24(25-14-20)32-17(2)3)8-10-23(18)33(30,31)28-21-6-5-7-22(13-21)29-15-26-27-16-29/h8-12,14-17,21-22,28H,4-7,13H2,1-3H3
InChIKeyQMRIQJDGJHYBQH-UHFFFAOYSA-N
MW469.61 g/mol
LogP4.15
Rot. Bonds8

About 2-ethyl-4-(6-propan-2-yloxy-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide

2-ethyl-4-(6-propan-2-yloxy-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (PubChem CID 77164618) has the molecular formula C24H31N5O3S and a molecular weight of 469.61 g/mol. Its IUPAC name is 2-ethyl-4-(6-propan-2-yloxy-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-4-(6-propan-2-yloxy-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
PubChem CID77164618
Molecular FormulaC24H31N5O3S
Molecular Weight469.61 g/mol
Exact Mass469.21
IUPAC Name2-ethyl-4-(6-propan-2-yloxy-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESCCc1cc(-c2ccc(OC(C)C)nc2)ccc1S(=O)(=O)NC1CCCC(n2cnnc2)C1
InChIInChI=1S/C24H31N5O3S/c1-4-18-12-19(20-9-11-24(25-14-20)32-17(2)3)8-10-23(18)33(30,31)28-21-6-5-7-22(13-21)29-15-26-27-16-29/h8-12,14-17,21-22,28H,4-7,13H2,1-3H3
InChIKeyQMRIQJDGJHYBQH-UHFFFAOYSA-N
XLogP4.15
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(6-propan-2-yloxy-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2-ethyl-4-(6-propan-2-yloxy-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (CID 77164618) is 2-ethyl-4-(6-propan-2-yloxy-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-ethyl-4-(6-propan-2-yloxy-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-ethyl-4-(6-propan-2-yloxy-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is CCc1cc(-c2ccc(OC(C)C)nc2)ccc1S(=O)(=O)NC1CCCC(n2cnnc2)C1.
What is the InChIKey of 2-ethyl-4-(6-propan-2-yloxy-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The InChIKey is QMRIQJDGJHYBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3S/c1-4-18-12-19(20-9-11-24(25-14-20)32-17(2)3)8-10-23(18)33(30,31)28-21-6-5-7-22(13-21)29-15-26-27-16-29/h8-12,14-17,21-22,28H,4-7,13H2,1-3H3.
What are the key properties of 2-ethyl-4-(6-propan-2-yloxy-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
2-ethyl-4-(6-propan-2-yloxy-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide has a molecular weight of 469.61 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(6-propan-2-yloxy-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 77164618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).