N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexanesulfonamide

C9H16N4O2S — CID 61066388

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)cyclohexanesulfonamide
SMILESO=S(=O)(NCc1ncn[nH]1)C1CCCCC1
InChIInChI=1S/C9H16N4O2S/c14-16(15,8-4-2-1-3-5-8)12-6-9-10-7-11-13-9/h7-8,12H,1-6H2,(H,10,11,13)
InChIKeyAOVUGCRQAYXRDM-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.56
Rot. Bonds4

About N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexanesulfonamide

N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexanesulfonamide (PubChem CID 61066388) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)cyclohexanesulfonamide
PubChem CID61066388
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)cyclohexanesulfonamide
SMILESO=S(=O)(NCc1ncn[nH]1)C1CCCCC1
InChIInChI=1S/C9H16N4O2S/c14-16(15,8-4-2-1-3-5-8)12-6-9-10-7-11-13-9/h7-8,12H,1-6H2,(H,10,11,13)
InChIKeyAOVUGCRQAYXRDM-UHFFFAOYSA-N
XLogP0.56
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,4-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butane-1-sulfonamide
CID 83059570
4,4,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butane-1-sulfonamide
CID 83059718
4,4,4-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butane-1-sulfonamide
CID 83059850
4,4,4-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)butane-1-sulfonamide
CID 83059989
4,4,4-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butane-1-sulfonamide
CID 103943299
(4H-1,2,4-triazol-3-yl)methanesulfonamide
CID 69297782
2-(1H-1,2,4-triazol-5-yl)ethanesulfonamide
CID 145735351
1,1-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)thiolane-3-sulfonamide
CID 54883587
5-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole
CID 54883685
1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 54947631
1,1-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)thian-4-amine
CID 60979171
3-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)propane-1-sulfonamide
CID 60982074

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexanesulfonamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexanesulfonamide (CID 61066388) is N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexanesulfonamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexanesulfonamide is O=S(=O)(NCc1ncn[nH]1)C1CCCCC1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexanesulfonamide?
The InChIKey is AOVUGCRQAYXRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c14-16(15,8-4-2-1-3-5-8)12-6-9-10-7-11-13-9/h7-8,12H,1-6H2,(H,10,11,13).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexanesulfonamide?
N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexanesulfonamide is sourced from PubChem (CID 61066388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).