4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexane-1-sulfonamide

C18H29FN2O3S — CID 175575869

IUPAC4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexane-1-sulfonamide
SMILESCC(C)(CC1CCC(S(N)(=O)=O)CC1)NCC(O)c1cccc(F)c1
InChIInChI=1S/C18H29FN2O3S/c1-18(2,11-13-6-8-16(9-7-13)25(20,23)24)21-12-17(22)14-4-3-5-15(19)10-14/h3-5,10,13,16-17,21-22H,6-9,11-12H2,1-2H3,(H2,20,23,24)
InChIKeyNRXCKZNARMAHLR-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.46
Rot. Bonds7

About 4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexane-1-sulfonamide

4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexane-1-sulfonamide (PubChem CID 175575869) has the molecular formula C18H29FN2O3S and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexane-1-sulfonamide.

Molecular Properties

Compound Name4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexane-1-sulfonamide
PubChem CID175575869
Molecular FormulaC18H29FN2O3S
Molecular Weight372.51 g/mol
Exact Mass372.19
IUPAC Name4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexane-1-sulfonamide
SMILESCC(C)(CC1CCC(S(N)(=O)=O)CC1)NCC(O)c1cccc(F)c1
InChIInChI=1S/C18H29FN2O3S/c1-18(2,11-13-6-8-16(9-7-13)25(20,23)24)21-12-17(22)14-4-3-5-15(19)10-14/h3-5,10,13,16-17,21-22H,6-9,11-12H2,1-2H3,(H2,20,23,24)
InChIKeyNRXCKZNARMAHLR-UHFFFAOYSA-N
XLogP2.46
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexane-1-sulfonamide?
The IUPAC name of 4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexane-1-sulfonamide (CID 175575869) is 4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexane-1-sulfonamide.
What is the SMILES notation for 4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexane-1-sulfonamide?
The canonical SMILES for 4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexane-1-sulfonamide is CC(C)(CC1CCC(S(N)(=O)=O)CC1)NCC(O)c1cccc(F)c1.
What is the InChIKey of 4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexane-1-sulfonamide?
The InChIKey is NRXCKZNARMAHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O3S/c1-18(2,11-13-6-8-16(9-7-13)25(20,23)24)21-12-17(22)14-4-3-5-15(19)10-14/h3-5,10,13,16-17,21-22H,6-9,11-12H2,1-2H3,(H2,20,23,24).
What are the key properties of 4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexane-1-sulfonamide?
4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexane-1-sulfonamide has a molecular weight of 372.51 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexane-1-sulfonamide is sourced from PubChem (CID 175575869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).