N-(4-hydroxycyclohexyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide

C20H22F3NO4S — CID 45278732

IUPACN-(4-hydroxycyclohexyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCC(O)CC2)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H22F3NO4S/c1-13-12-18(29(26,27)24-15-4-6-16(25)7-5-15)10-11-19(13)14-2-8-17(9-3-14)28-20(21,22)23/h2-3,8-12,15-16,24-25H,4-7H2,1H3
InChIKeyJVJMPVSYGSZYEC-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.14
Rot. Bonds5

About N-(4-hydroxycyclohexyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide

N-(4-hydroxycyclohexyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide (PubChem CID 45278732) has the molecular formula C20H22F3NO4S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
PubChem CID45278732
Molecular FormulaC20H22F3NO4S
Molecular Weight429.46 g/mol
Exact Mass429.12
IUPAC NameN-(4-hydroxycyclohexyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCC(O)CC2)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H22F3NO4S/c1-13-12-18(29(26,27)24-15-4-6-16(25)7-5-15)10-11-19(13)14-2-8-17(9-3-14)28-20(21,22)23/h2-3,8-12,15-16,24-25H,4-7H2,1H3
InChIKeyJVJMPVSYGSZYEC-UHFFFAOYSA-N
XLogP4.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90635040
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 155061379
4-(trifluoromethoxy)-N-[(1S,3R)-3,4,4-trimethylcyclohexyl]benzenesulfonamide
CID 164862538
4-(trifluoromethoxy)-N-(3,4,4-trimethylcyclohexyl)benzenesulfonamide
CID 164862828
5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 146411611
3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912465
N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide
CID 171389649
3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 43257259
N-(4-hydroxycyclohexyl)-4-methyl-3-(6-pyridin-3-ylpyrazin-2-yl)benzenesulfonamide
CID 118470908
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90634047
N-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide
CID 54926200
tert-butyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-7-azaspiro[3.5]nonane-7-carboxylate
CID 170049610

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide (CID 45278732) is N-(4-hydroxycyclohexyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NC2CCC(O)CC2)ccc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
The InChIKey is JVJMPVSYGSZYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO4S/c1-13-12-18(29(26,27)24-15-4-6-16(25)7-5-15)10-11-19(13)14-2-8-17(9-3-14)28-20(21,22)23/h2-3,8-12,15-16,24-25H,4-7H2,1H3.
What are the key properties of N-(4-hydroxycyclohexyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
N-(4-hydroxycyclohexyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide has a molecular weight of 429.46 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 45278732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).