N-(2-phenoxycyclohexyl)benzenesulfonamide

C18H21NO3S — CID 5142185

IUPACN-(2-phenoxycyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1Oc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO3S/c20-23(21,16-11-5-2-6-12-16)19-17-13-7-8-14-18(17)22-15-9-3-1-4-10-15/h1-6,9-12,17-19H,7-8,13-14H2
InChIKeyMSPOMUWFJZWNBR-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.36
Rot. Bonds5

About N-(2-phenoxycyclohexyl)benzenesulfonamide

N-(2-phenoxycyclohexyl)benzenesulfonamide (PubChem CID 5142185) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(2-phenoxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-phenoxycyclohexyl)benzenesulfonamide
PubChem CID5142185
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-(2-phenoxycyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1Oc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO3S/c20-23(21,16-11-5-2-6-12-16)19-17-13-7-8-14-18(17)22-15-9-3-1-4-10-15/h1-6,9-12,17-19H,7-8,13-14H2
InChIKeyMSPOMUWFJZWNBR-UHFFFAOYSA-N
XLogP3.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide
CID 700202
N-cyclopropyl-4-ethoxybenzenesulfonamide
CID 848357
N-cycloheptyl-4-ethoxybenzenesulfonamide
CID 975925
(2-Methoxy-isopropyl)[(4-methoxyphenyl)sulfonyl]amine
CID 2904487
4-chloro-N-{2-[4-(methylthio)phenoxy]cyclohexyl}benzenesulfonamide
CID 2912934
4-{2-[(methylsulfonyl)amino]ethoxy}-N-(2-phenoxyethyl)benzenesulfonamide
CID 4919376
N-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide
CID 850125
N-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide
CID 935316
4-chloro-N-(2-phenoxycyclohexyl)benzenesulfonamide
CID 2912969
4-fluoro-N-[1-(2-phenoxyethyl)piperidin-4-yl]benzenesulfonamide
CID 37219401
4-phenoxy-N-[(1R,2S)-2-sulfanylcyclopentyl]benzenesulfonamide
CID 71682766
4-phenoxy-N-[(1S,2R)-2-sulfanylcyclopentyl]benzenesulfonamide
CID 71682767

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxycyclohexyl)benzenesulfonamide?
The IUPAC name of N-(2-phenoxycyclohexyl)benzenesulfonamide (CID 5142185) is N-(2-phenoxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for N-(2-phenoxycyclohexyl)benzenesulfonamide?
The canonical SMILES for N-(2-phenoxycyclohexyl)benzenesulfonamide is O=S(=O)(NC1CCCCC1Oc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-phenoxycyclohexyl)benzenesulfonamide?
The InChIKey is MSPOMUWFJZWNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c20-23(21,16-11-5-2-6-12-16)19-17-13-7-8-14-18(17)22-15-9-3-1-4-10-15/h1-6,9-12,17-19H,7-8,13-14H2.
What are the key properties of N-(2-phenoxycyclohexyl)benzenesulfonamide?
N-(2-phenoxycyclohexyl)benzenesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 5142185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).