3-ethyl-4-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide

C22H26N4O2S — CID 75310882

IUPAC3-ethyl-4-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESCCc1cc(S(=O)(=O)NC2CCCC(n3cnnc3)C2)ccc1-c1ccccc1
InChIInChI=1S/C22H26N4O2S/c1-2-17-13-21(11-12-22(17)18-7-4-3-5-8-18)29(27,28)25-19-9-6-10-20(14-19)26-15-23-24-16-26/h3-5,7-8,11-13,15-16,19-20,25H,2,6,9-10,14H2,1H3
InChIKeyKMUJTBBBBGLJPD-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.97
Rot. Bonds6

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

3-ethyl-4-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (PubChem CID 75310882) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 3-ethyl-4-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3-ethyl-4-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
PubChem CID75310882
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name3-ethyl-4-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESCCc1cc(S(=O)(=O)NC2CCCC(n3cnnc3)C2)ccc1-c1ccccc1
InChIInChI=1S/C22H26N4O2S/c1-2-17-13-21(11-12-22(17)18-7-4-3-5-8-18)29(27,28)25-19-9-6-10-20(14-19)26-15-23-24-16-26/h3-5,7-8,11-13,15-16,19-20,25H,2,6,9-10,14H2,1H3
InChIKeyKMUJTBBBBGLJPD-UHFFFAOYSA-N
XLogP3.97
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-3-phenyl-N-[(1S,3S)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 118643822
4-ethoxy-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 75310726
3-phenyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide
CID 67491135
3-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethoxy)benzenesulfonamide
CID 77301860
2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 67491184
2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 77301857
3-(difluoromethoxy)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 75310647
N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 75310646
2-ethyl-4-(tetrazol-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 75310848
N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 67491134
N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 87420602
2-ethyl-4-(2-pyrrol-1-ylpyrrol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 118643800

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 3-ethyl-4-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (CID 75310882) is 3-ethyl-4-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3-ethyl-4-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 3-ethyl-4-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is CCc1cc(S(=O)(=O)NC2CCCC(n3cnnc3)C2)ccc1-c1ccccc1.
What is the InChIKey of 3-ethyl-4-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The InChIKey is KMUJTBBBBGLJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-2-17-13-21(11-12-22(17)18-7-4-3-5-8-18)29(27,28)25-19-9-6-10-20(14-19)26-15-23-24-16-26/h3-5,7-8,11-13,15-16,19-20,25H,2,6,9-10,14H2,1H3.
What are the key properties of 3-ethyl-4-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
3-ethyl-4-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide has a molecular weight of 410.54 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 75310882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).