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

C15H19ClN4O2S2 — CID 1081831

IUPAC4-chloro-N-[(1R,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide
SMILESCn1cnnc1S[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4O2S2/c1-20-10-17-18-15(20)23-14-5-3-2-4-13(14)19-24(21,22)12-8-6-11(16)7-9-12/h6-10,13-14,19H,2-5H2,1H3/t13-,14-/m1/s1
InChIKeyYJSLERVIOOTPTK-ZIAGYGMSSA-N
MW386.93 g/mol
LogP2.85
Rot. Bonds5

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

4-chloro-N-[(1R,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide (PubChem CID 1081831) has the molecular formula C15H19ClN4O2S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is 4-chloro-N-[(1R,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1R,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide
PubChem CID1081831
Molecular FormulaC15H19ClN4O2S2
Molecular Weight386.93 g/mol
Exact Mass386.06
IUPAC Name4-chloro-N-[(1R,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide
SMILESCn1cnnc1S[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4O2S2/c1-20-10-17-18-15(20)23-14-5-3-2-4-13(14)19-24(21,22)12-8-6-11(16)7-9-12/h6-10,13-14,19H,2-5H2,1H3/t13-,14-/m1/s1
InChIKeyYJSLERVIOOTPTK-ZIAGYGMSSA-N
XLogP2.85
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[(1R,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide with MolForge

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Related Compounds

4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide
CID 2975041
4-chloro-N-[(1R,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide
CID 1167670
4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide
CID 2198514
4-chloro-N-[(1S,2R)-2-pyridin-2-ylsulfanylcyclohexyl]benzenesulfonamide
CID 1167631
4-chloro-N-[(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylethyl]benzenesulfonamide
CID 2345300
4-chloro-N-[(1S,2R)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide
CID 135931350
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 63100140
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 92669885
N-[(1S,2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1,2-dihydroacenaphthylen-1-yl]-4-chlorobenzenesulfonamide
CID 1304098
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722
4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide
CID 1167612

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1R,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide (CID 1081831) is 4-chloro-N-[(1R,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1R,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1R,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide is Cn1cnnc1S[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1R,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide?
The InChIKey is YJSLERVIOOTPTK-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H19ClN4O2S2/c1-20-10-17-18-15(20)23-14-5-3-2-4-13(14)19-24(21,22)12-8-6-11(16)7-9-12/h6-10,13-14,19H,2-5H2,1H3/t13-,14-/m1/s1.
What are the key properties of 4-chloro-N-[(1R,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide?
4-chloro-N-[(1R,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide has a molecular weight of 386.93 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 1081831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).