4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide

C14H21NO3S — CID 43342353

IUPAC4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide
SMILESCc1c(OC2CCCCC2)ccc(S(N)(=O)=O)c1C
InChIInChI=1S/C14H21NO3S/c1-10-11(2)14(19(15,16)17)9-8-13(10)18-12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyMYWHEXDQGRPRHK-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.66
Rot. Bonds3

About 4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide

4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide (PubChem CID 43342353) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide
PubChem CID43342353
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide
SMILESCc1c(OC2CCCCC2)ccc(S(N)(=O)=O)c1C
InChIInChI=1S/C14H21NO3S/c1-10-11(2)14(19(15,16)17)9-8-13(10)18-12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyMYWHEXDQGRPRHK-UHFFFAOYSA-N
XLogP2.66
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyloxy-4-methoxybenzenesulfonamide
CID 69224689
4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide
CID 43560584
(3-cyclohexyloxy-4-sulfamoylphenyl)boronic acid
CID 67097987
4-ethoxy-2,3-dimethylbenzenesulfonamide
CID 43164397
4-cyclohexyloxy-2-methyl-5-nitrobenzenesulfonamide
CID 43342380
1-cyclohexyloxy-5-methylsulfonylnaphthalene
CID 90350345
2-cycloheptyloxy-5-methylbenzenesulfonyl chloride
CID 82926228
2-amino-4-cyclopentyloxybenzenesulfonamide
CID 79466823
2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride
CID 43247030
N-cyclopropyl-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82921851
4-(4-ethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide
CID 64747563
4-cycloheptyloxy-3-methylbenzenesulfonyl chloride
CID 82935748

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide (CID 43342353) is 4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide is Cc1c(OC2CCCCC2)ccc(S(N)(=O)=O)c1C.
What is the InChIKey of 4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide?
The InChIKey is MYWHEXDQGRPRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10-11(2)14(19(15,16)17)9-8-13(10)18-12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide?
4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 43342353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).