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

C17H22N8O2S — CID 75310848

IUPAC2-ethyl-4-(tetrazol-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESCCc1cc(-n2cnnn2)ccc1S(=O)(=O)NC1CCCC(n2cnnc2)C1
InChIInChI=1S/C17H22N8O2S/c1-2-13-8-16(25-12-20-22-23-25)6-7-17(13)28(26,27)21-14-4-3-5-15(9-14)24-10-18-19-11-24/h6-8,10-12,14-15,21H,2-5,9H2,1H3
InChIKeySXRMROBKYDYACQ-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.28
Rot. Bonds6

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

2-ethyl-4-(tetrazol-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (PubChem CID 75310848) has the molecular formula C17H22N8O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-ethyl-4-(tetrazol-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-4-(tetrazol-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
PubChem CID75310848
Molecular FormulaC17H22N8O2S
Molecular Weight402.48 g/mol
Exact Mass402.16
IUPAC Name2-ethyl-4-(tetrazol-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESCCc1cc(-n2cnnn2)ccc1S(=O)(=O)NC1CCCC(n2cnnc2)C1
InChIInChI=1S/C17H22N8O2S/c1-2-13-8-16(25-12-20-22-23-25)6-7-17(13)28(26,27)21-14-4-3-5-15(9-14)24-10-18-19-11-24/h6-8,10-12,14-15,21H,2-5,9H2,1H3
InChIKeySXRMROBKYDYACQ-UHFFFAOYSA-N
XLogP1.28
TPSA120.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 77301857
2-ethyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 67491184
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-4-(9-methyl-7,8-dihydro-6H-quinolizin-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 123490305
4-ethyl-3-phenyl-N-[(1S,3S)-3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 118643822
3-ethyl-4-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 75310882
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
1-(3-chloro-4-ethylphenyl)tetrazole
CID 71114240
3-phenyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide
CID 67491135
N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 67491134

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(tetrazol-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2-ethyl-4-(tetrazol-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (CID 75310848) is 2-ethyl-4-(tetrazol-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-ethyl-4-(tetrazol-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-ethyl-4-(tetrazol-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is CCc1cc(-n2cnnn2)ccc1S(=O)(=O)NC1CCCC(n2cnnc2)C1.
What is the InChIKey of 2-ethyl-4-(tetrazol-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The InChIKey is SXRMROBKYDYACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O2S/c1-2-13-8-16(25-12-20-22-23-25)6-7-17(13)28(26,27)21-14-4-3-5-15(9-14)24-10-18-19-11-24/h6-8,10-12,14-15,21H,2-5,9H2,1H3.
What are the key properties of 2-ethyl-4-(tetrazol-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
2-ethyl-4-(tetrazol-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide has a molecular weight of 402.48 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(tetrazol-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 75310848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).