N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide

C16H25NO3S — CID 975173

IUPACN-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(C)C2CCCCC2)c(C)cc1C
InChIInChI=1S/C16H25NO3S/c1-12-10-13(2)16(11-15(12)20-4)21(18,19)17(3)14-8-6-5-7-9-14/h10-11,14H,5-9H2,1-4H3
InChIKeySIWWXPJBANNKOU-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.27
Rot. Bonds4

About N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide

N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide (PubChem CID 975173) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide
PubChem CID975173
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(C)C2CCCCC2)c(C)cc1C
InChIInChI=1S/C16H25NO3S/c1-12-10-13(2)16(11-15(12)20-4)21(18,19)17(3)14-8-6-5-7-9-14/h10-11,14H,5-9H2,1-4H3
InChIKeySIWWXPJBANNKOU-UHFFFAOYSA-N
XLogP3.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]-4-piperidinecarboxamide
CID 756572
[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]pyrrolidine
CID 850003
N-cyclohexyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 850062
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278
N-[1-(4-methoxy-2,3-dimethylphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72725496
N-[1-(4-methoxy-3,5-dimethylphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72725549
1-[(4'-Methoxy-4-biphenylyl)sulfonyl]pyrrolidine
CID 852203
5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide
CID 2137824
N-cyclohexyl-N-ethyl-4-methoxy-3-methylbenzenesulfonamide
CID 849958
N-cyclohexyl-N-ethyl-2-methoxy-5-methylbenzenesulfonamide
CID 2931464
N-(2-methoxybenzyl)-2,4,6-trimethylbenzenesulfonamide
CID 668980
1-(5-Ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine
CID 970153

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide (CID 975173) is N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide is COc1cc(S(=O)(=O)N(C)C2CCCCC2)c(C)cc1C.
What is the InChIKey of N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide?
The InChIKey is SIWWXPJBANNKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-12-10-13(2)16(11-15(12)20-4)21(18,19)17(3)14-8-6-5-7-9-14/h10-11,14H,5-9H2,1-4H3.
What are the key properties of N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide?
N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 975173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).