N-cyclohexyl-4-phenylbenzenesulfonamide

C18H21NO2S — CID 762681

IUPACN-cyclohexyl-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO2S/c20-22(21,19-17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,17,19H,2,5-6,9-10H2
InChIKeyHGECXMLEAWCDGP-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.96
Rot. Bonds4

About N-cyclohexyl-4-phenylbenzenesulfonamide

N-cyclohexyl-4-phenylbenzenesulfonamide (PubChem CID 762681) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-cyclohexyl-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-phenylbenzenesulfonamide
PubChem CID762681
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-cyclohexyl-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO2S/c20-22(21,19-17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,17,19H,2,5-6,9-10H2
InChIKeyHGECXMLEAWCDGP-UHFFFAOYSA-N
XLogP3.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-phenylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-phenylbenzenesulfonamide (CID 762681) is N-cyclohexyl-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-phenylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-phenylbenzenesulfonamide is O=S(=O)(NC1CCCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-cyclohexyl-4-phenylbenzenesulfonamide?
The InChIKey is HGECXMLEAWCDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c20-22(21,19-17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,17,19H,2,5-6,9-10H2.
What are the key properties of N-cyclohexyl-4-phenylbenzenesulfonamide?
N-cyclohexyl-4-phenylbenzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-phenylbenzenesulfonamide is sourced from PubChem (CID 762681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).