N-[2-fluoro-5-[(2-methoxycyclohexyl)amino]phenyl]methanesulfonamide

C14H21FN2O3S — CID 43788346

IUPACN-[2-fluoro-5-[(2-methoxycyclohexyl)amino]phenyl]methanesulfonamide
SMILESCOC1CCCCC1Nc1ccc(F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C14H21FN2O3S/c1-20-14-6-4-3-5-12(14)16-10-7-8-11(15)13(9-10)17-21(2,18)19/h7-9,12,14,16-17H,3-6H2,1-2H3
InChIKeyBMTDOSNZWQMOTH-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.57
Rot. Bonds5

About N-[2-fluoro-5-[(2-methoxycyclohexyl)amino]phenyl]methanesulfonamide

N-[2-fluoro-5-[(2-methoxycyclohexyl)amino]phenyl]methanesulfonamide (PubChem CID 43788346) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[2-fluoro-5-[(2-methoxycyclohexyl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(2-methoxycyclohexyl)amino]phenyl]methanesulfonamide
PubChem CID43788346
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-[2-fluoro-5-[(2-methoxycyclohexyl)amino]phenyl]methanesulfonamide
SMILESCOC1CCCCC1Nc1ccc(F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C14H21FN2O3S/c1-20-14-6-4-3-5-12(14)16-10-7-8-11(15)13(9-10)17-21(2,18)19/h7-9,12,14,16-17H,3-6H2,1-2H3
InChIKeyBMTDOSNZWQMOTH-UHFFFAOYSA-N
XLogP2.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(2-methoxycyclohexyl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-5-[(2-methoxycyclohexyl)amino]phenyl]methanesulfonamide (CID 43788346) is N-[2-fluoro-5-[(2-methoxycyclohexyl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-5-[(2-methoxycyclohexyl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-5-[(2-methoxycyclohexyl)amino]phenyl]methanesulfonamide is COC1CCCCC1Nc1ccc(F)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[2-fluoro-5-[(2-methoxycyclohexyl)amino]phenyl]methanesulfonamide?
The InChIKey is BMTDOSNZWQMOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-20-14-6-4-3-5-12(14)16-10-7-8-11(15)13(9-10)17-21(2,18)19/h7-9,12,14,16-17H,3-6H2,1-2H3.
What are the key properties of N-[2-fluoro-5-[(2-methoxycyclohexyl)amino]phenyl]methanesulfonamide?
N-[2-fluoro-5-[(2-methoxycyclohexyl)amino]phenyl]methanesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(2-methoxycyclohexyl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 43788346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).