2-ethyl-4-(2-pyrrol-1-ylpyrrol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide

C24H28N6O2S — CID 118643800

IUPAC2-ethyl-4-(2-pyrrol-1-ylpyrrol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESCCc1cc(-n2cccc2-n2cccc2)ccc1S(=O)(=O)N[C@H]1CCC[C@@H](n2cnnc2)C1
InChIInChI=1S/C24H28N6O2S/c1-2-19-15-22(30-14-6-9-24(30)28-12-3-4-13-28)10-11-23(19)33(31,32)27-20-7-5-8-21(16-20)29-17-25-26-18-29/h3-4,6,9-15,17-18,20-21,27H,2,5,7-8,16H2,1H3/t20-,21+/m0/s1
InChIKeyVAPOPDLAFKVNBM-LEWJYISDSA-N
MW464.60 g/mol
LogP3.88
Rot. Bonds7

About 2-ethyl-4-(2-pyrrol-1-ylpyrrol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide

2-ethyl-4-(2-pyrrol-1-ylpyrrol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (PubChem CID 118643800) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is 2-ethyl-4-(2-pyrrol-1-ylpyrrol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-4-(2-pyrrol-1-ylpyrrol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
PubChem CID118643800
Molecular FormulaC24H28N6O2S
Molecular Weight464.60 g/mol
Exact Mass464.20
IUPAC Name2-ethyl-4-(2-pyrrol-1-ylpyrrol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESCCc1cc(-n2cccc2-n2cccc2)ccc1S(=O)(=O)N[C@H]1CCC[C@@H](n2cnnc2)C1
InChIInChI=1S/C24H28N6O2S/c1-2-19-15-22(30-14-6-9-24(30)28-12-3-4-13-28)10-11-23(19)33(31,32)27-20-7-5-8-21(16-20)29-17-25-26-18-29/h3-4,6,9-15,17-18,20-21,27H,2,5,7-8,16H2,1H3/t20-,21+/m0/s1
InChIKeyVAPOPDLAFKVNBM-LEWJYISDSA-N
XLogP3.88
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-4-(4-methylpyrazol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 67491155
2-ethyl-4-(tetrazol-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 75310848
2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 77301857
4-(6-chloroimidazo[1,2-a]pyridin-8-yl)-2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 67491038
2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 67491184
2-ethyl-4-(6-propan-2-yloxy-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 77164618
2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzenesulfonamide
CID 66895635
3-ethyl-4-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 75310882
4-ethyl-3-phenyl-N-[(1S,3S)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 118643822
2-ethyl-4-(9-methyl-7,8-dihydro-6H-quinolizin-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 123490305
4-ethoxy-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 75310726
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-ethylbenzenesulfonamide
CID 67491980

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-pyrrol-1-ylpyrrol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2-ethyl-4-(2-pyrrol-1-ylpyrrol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (CID 118643800) is 2-ethyl-4-(2-pyrrol-1-ylpyrrol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-ethyl-4-(2-pyrrol-1-ylpyrrol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-ethyl-4-(2-pyrrol-1-ylpyrrol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is CCc1cc(-n2cccc2-n2cccc2)ccc1S(=O)(=O)N[C@H]1CCC[C@@H](n2cnnc2)C1.
What is the InChIKey of 2-ethyl-4-(2-pyrrol-1-ylpyrrol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The InChIKey is VAPOPDLAFKVNBM-LEWJYISDSA-N. The full InChI is InChI=1S/C24H28N6O2S/c1-2-19-15-22(30-14-6-9-24(30)28-12-3-4-13-28)10-11-23(19)33(31,32)27-20-7-5-8-21(16-20)29-17-25-26-18-29/h3-4,6,9-15,17-18,20-21,27H,2,5,7-8,16H2,1H3/t20-,21+/m0/s1.
What are the key properties of 2-ethyl-4-(2-pyrrol-1-ylpyrrol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
2-ethyl-4-(2-pyrrol-1-ylpyrrol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide has a molecular weight of 464.60 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-pyrrol-1-ylpyrrol-1-yl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 118643800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).