4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

C14H18N4O2S — CID 35539697

IUPAC4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncn[nH]1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H18N4O2S/c19-21(20,18-14-15-10-16-17-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,15,16,17,18)
InChIKeyZEKVRQSJQOUDCP-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.65
Rot. Bonds4

About 4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (PubChem CID 35539697) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
PubChem CID35539697
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncn[nH]1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H18N4O2S/c19-21(20,18-14-15-10-16-17-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,15,16,17,18)
InChIKeyZEKVRQSJQOUDCP-UHFFFAOYSA-N
XLogP2.65
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclohexyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532736
N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 39854348
3,5-difluoro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 55152036
4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62944142
4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 120716650
4-cyclohexyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 18515473
4-cyclohexyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960370
4-cyclohexyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
CID 75494864
4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 35539083
4-cyclohexyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 7939033
4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 25499358
N-[6-chloro-5-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-cyclohexylbenzenesulfonamide
CID 19735410

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (CID 35539697) is 4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncn[nH]1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The InChIKey is ZEKVRQSJQOUDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c19-21(20,18-14-15-10-16-17-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,15,16,17,18).
What are the key properties of 4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 35539697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).