N-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide

C20H23NO3S — CID 19210513

IUPACN-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H23NO3S/c1-16-12-14-19(15-13-16)25(23,24)21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h3,6-7,10-15,17H,2,4-5,8-9H2,1H3
InChIKeyWAYHNDWTDGUTFM-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.30
Rot. Bonds4

About N-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide

N-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide (PubChem CID 19210513) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide
PubChem CID19210513
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC NameN-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H23NO3S/c1-16-12-14-19(15-13-16)25(23,24)21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h3,6-7,10-15,17H,2,4-5,8-9H2,1H3
InChIKeyWAYHNDWTDGUTFM-UHFFFAOYSA-N
XLogP4.30
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide (CID 19210513) is N-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide is Cc1ccc(S(=O)(=O)N(C(=O)C2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide?
The InChIKey is WAYHNDWTDGUTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-16-12-14-19(15-13-16)25(23,24)21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h3,6-7,10-15,17H,2,4-5,8-9H2,1H3.
What are the key properties of N-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide?
N-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide has a molecular weight of 357.48 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide is sourced from PubChem (CID 19210513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).