2,4-dichloro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-methylbenzenesulfonamide

C13H17Cl2NO3S — CID 95984052

IUPAC2,4-dichloro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@H]2CCC[C@@H](O)C2)c(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO3S/c1-8-5-13(12(15)7-11(8)14)20(18,19)16-9-3-2-4-10(17)6-9/h5,7,9-10,16-17H,2-4,6H2,1H3/t9-,10+/m0/s1
InChIKeyZAEPYDRBVHBTFO-VHSXEESVSA-N
MW338.26 g/mol
LogP2.88
Rot. Bonds3

About 2,4-dichloro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-methylbenzenesulfonamide

2,4-dichloro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-methylbenzenesulfonamide (PubChem CID 95984052) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-methylbenzenesulfonamide
PubChem CID95984052
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name2,4-dichloro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@H]2CCC[C@@H](O)C2)c(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO3S/c1-8-5-13(12(15)7-11(8)14)20(18,19)16-9-3-2-4-10(17)6-9/h5,7,9-10,16-17H,2-4,6H2,1H3/t9-,10+/m0/s1
InChIKeyZAEPYDRBVHBTFO-VHSXEESVSA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 95984034
3-chloro-4-fluoro-N-[(1R,3R)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984027
1-hydroxy-3-(sulfamoylamino)cyclohexane
CID 112686057
5-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]thiophene-2-sulfonamide
CID 95984008
N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 95984012
2-chloro-N-(3-hydroxycyclohexyl)-1,3-thiazole-5-sulfonamide
CID 61051756
5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide
CID 107213615
2,4-dichloro-N-(2-cyclohexyl-2-hydroxyethyl)-5-methylbenzenesulfonamide
CID 90498903
4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide
CID 156608191
4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 22772557
5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43696889
4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide
CID 61068578

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-methylbenzenesulfonamide (CID 95984052) is 2,4-dichloro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H](O)C2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-methylbenzenesulfonamide?
The InChIKey is ZAEPYDRBVHBTFO-VHSXEESVSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c1-8-5-13(12(15)7-11(8)14)20(18,19)16-9-3-2-4-10(17)6-9/h5,7,9-10,16-17H,2-4,6H2,1H3/t9-,10+/m0/s1.
What are the key properties of 2,4-dichloro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-methylbenzenesulfonamide?
2,4-dichloro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-methylbenzenesulfonamide has a molecular weight of 338.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 95984052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).