2,6-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide

C13H17F2NO3S — CID 106126597

IUPAC2,6-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCC(O)CC1)c1c(F)cccc1F
InChIInChI=1S/C13H17F2NO3S/c14-11-2-1-3-12(15)13(11)20(18,19)16-8-9-4-6-10(17)7-5-9/h1-3,9-10,16-17H,4-8H2
InChIKeyQUUNXXPFMNNLBR-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.79
Rot. Bonds4

About 2,6-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide

2,6-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide (PubChem CID 106126597) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is 2,6-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
PubChem CID106126597
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name2,6-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCC(O)CC1)c1c(F)cccc1F
InChIInChI=1S/C13H17F2NO3S/c14-11-2-1-3-12(15)13(11)20(18,19)16-8-9-4-6-10(17)7-5-9/h1-3,9-10,16-17H,4-8H2
InChIKeyQUUNXXPFMNNLBR-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 132971400
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126987
N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 114147059
5-amino-2,3-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119438
N-[(4-bromocyclohexyl)methyl]-2,4,6-trifluorobenzenesulfonamide
CID 106136131
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270285
2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126545
N-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
CID 106126673
N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide
CID 43603529
N-[[4-[[[(3aR,9bS)-1,3,3a,4,5,9b-hexahydrobenzo[e]indol-2-ylidene]amino]methyl]cyclohexyl]methyl]-2,6-difluorobenzenesulfonamide
CID 136656028
[4-[[(2-fluorophenyl)sulfonylamino]methyl]cyclohexyl] formate
CID 87901132
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 106126554

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide (CID 106126597) is 2,6-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide is O=S(=O)(NCC1CCC(O)CC1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide?
The InChIKey is QUUNXXPFMNNLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c14-11-2-1-3-12(15)13(11)20(18,19)16-8-9-4-6-10(17)7-5-9/h1-3,9-10,16-17H,4-8H2.
What are the key properties of 2,6-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide?
2,6-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide has a molecular weight of 305.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106126597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).