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

C16H22N4O3S — CID 75310726

IUPAC4-ethoxy-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCCC(n3cnnc3)C2)cc1
InChIInChI=1S/C16H22N4O3S/c1-2-23-15-6-8-16(9-7-15)24(21,22)19-13-4-3-5-14(10-13)20-11-17-18-12-20/h6-9,11-14,19H,2-5,10H2,1H3
InChIKeyHFDMAVWFZHWVQG-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.14
Rot. Bonds6

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

4-ethoxy-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (PubChem CID 75310726) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-ethoxy-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
PubChem CID75310726
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name4-ethoxy-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCCC(n3cnnc3)C2)cc1
InChIInChI=1S/C16H22N4O3S/c1-2-23-15-6-8-16(9-7-15)24(21,22)19-13-4-3-5-14(10-13)20-11-17-18-12-20/h6-9,11-14,19H,2-5,10H2,1H3
InChIKeyHFDMAVWFZHWVQG-UHFFFAOYSA-N
XLogP2.14
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 67491134
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
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
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
3-phenyl-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethoxy)benzenesulfonamide
CID 77301860
2-ethyl-4-(6-methyl-3-pyridinyl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 77301857
2-ethyl-4-(tetrazol-1-yl)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 75310848
3-phenyl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide
CID 67491135
3-(6-methoxy-3-pyridinyl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide
CID 67491092
2-[4-(cyclopentylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 45374145

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (CID 75310726) is 4-ethoxy-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NC2CCCC(n3cnnc3)C2)cc1.
What is the InChIKey of 4-ethoxy-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The InChIKey is HFDMAVWFZHWVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-2-23-15-6-8-16(9-7-15)24(21,22)19-13-4-3-5-14(10-13)20-11-17-18-12-20/h6-9,11-14,19H,2-5,10H2,1H3.
What are the key properties of 4-ethoxy-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
4-ethoxy-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide has a molecular weight of 350.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 75310726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).