2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide

C12H15F2NO3S — CID 95984042

IUPAC2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCC[C@H](O)C1)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO3S/c13-10-5-2-6-11(14)12(10)19(17,18)15-8-3-1-4-9(16)7-8/h2,5-6,8-9,15-16H,1,3-4,7H2/t8-,9-/m0/s1
InChIKeyJCKOYPOHSAVSME-IUCAKERBSA-N
MW291.32 g/mol
LogP1.55
Rot. Bonds3

About 2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide

2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide (PubChem CID 95984042) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is 2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide
PubChem CID95984042
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC Name2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCC[C@H](O)C1)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO3S/c13-10-5-2-6-11(14)12(10)19(17,18)15-8-3-1-4-9(16)7-8/h2,5-6,8-9,15-16H,1,3-4,7H2/t8-,9-/m0/s1
InChIKeyJCKOYPOHSAVSME-IUCAKERBSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Hydroxycyclopentyl)benzenesulfonamide
CID 494371
3-fluoro-N-(3-hydroxycyclohexyl)benzenesulfonamide
CID 71786248
3-chloro-4-fluoro-N-(3-hydroxycyclohexyl)benzenesulfonamide
CID 71786249
2,6-difluoro-N-(3-hydroxycyclohexyl)benzenesulfonamide
CID 71786253
N-(3-hydroxycyclohexyl)-4-(trifluoromethyl)benzenesulfonamide
CID 71786254
3,5-difluoro-N-(2-hydroxypentyl)benzenesulfonamide
CID 75387162
2-fluoro-N-(1-hydroxyhexan-2-yl)benzenesulfonamide
CID 21078472
4-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 43386616
2-fluoro-N-(6-hydroxyhexyl)benzenesulfonamide
CID 69466664
4-fluoro-N-(6-hydroxyhexyl)benzenesulfonamide
CID 85745158
2-fluoro-N-(2-hydroxyhex-5-enyl)benzenesulfonamide
CID 118170431
2,6-difluoro-N-[(2R)-2-hydroxybutyl]benzenesulfonamide
CID 155466468

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide (CID 95984042) is 2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide is O=S(=O)(N[C@H]1CCC[C@H](O)C1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide?
The InChIKey is JCKOYPOHSAVSME-IUCAKERBSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c13-10-5-2-6-11(14)12(10)19(17,18)15-8-3-1-4-9(16)7-8/h2,5-6,8-9,15-16H,1,3-4,7H2/t8-,9-/m0/s1.
What are the key properties of 2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide?
2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide has a molecular weight of 291.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide is sourced from PubChem (CID 95984042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).