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

C15H20N4O2S2 — CID 2948003

IUPACN-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide
SMILESCn1cnnc1SC1CCCCC1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H20N4O2S2/c1-19-11-16-17-15(19)22-14-10-6-5-9-13(14)18-23(20,21)12-7-3-2-4-8-12/h2-4,7-8,11,13-14,18H,5-6,9-10H2,1H3
InChIKeyMJJSXKXBWIWCRS-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.20
Rot. Bonds5

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

N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide (PubChem CID 2948003) has the molecular formula C15H20N4O2S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide
PubChem CID2948003
Molecular FormulaC15H20N4O2S2
Molecular Weight352.49 g/mol
Exact Mass352.10
IUPAC NameN-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide
SMILESCn1cnnc1SC1CCCCC1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H20N4O2S2/c1-19-11-16-17-15(19)22-14-10-6-5-9-13(14)18-23(20,21)12-7-3-2-4-8-12/h2-4,7-8,11,13-14,18H,5-6,9-10H2,1H3
InChIKeyMJJSXKXBWIWCRS-UHFFFAOYSA-N
XLogP2.20
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide (CID 2948003) is N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide is Cn1cnnc1SC1CCCCC1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide?
The InChIKey is MJJSXKXBWIWCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S2/c1-19-11-16-17-15(19)22-14-10-6-5-9-13(14)18-23(20,21)12-7-3-2-4-8-12/h2-4,7-8,11,13-14,18H,5-6,9-10H2,1H3.
What are the key properties of N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide?
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide has a molecular weight of 352.49 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 2948003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).