N-(3,3-difluoro-2-hydroxypropyl)azepane-1-sulfonamide

C9H18F2N2O3S — CID 103836832

IUPACN-(3,3-difluoro-2-hydroxypropyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCC(O)C(F)F)N1CCCCCC1
InChIInChI=1S/C9H18F2N2O3S/c10-9(11)8(14)7-12-17(15,16)13-5-3-1-2-4-6-13/h8-9,12,14H,1-7H2
InChIKeyPTHZRIFDRAOPFK-UHFFFAOYSA-N
MW272.32 g/mol
LogP0.32
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)azepane-1-sulfonamide

N-(3,3-difluoro-2-hydroxypropyl)azepane-1-sulfonamide (PubChem CID 103836832) has the molecular formula C9H18F2N2O3S and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)azepane-1-sulfonamide
PubChem CID103836832
Molecular FormulaC9H18F2N2O3S
Molecular Weight272.32 g/mol
Exact Mass272.10
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCC(O)C(F)F)N1CCCCCC1
InChIInChI=1S/C9H18F2N2O3S/c10-9(11)8(14)7-12-17(15,16)13-5-3-1-2-4-6-13/h8-9,12,14H,1-7H2
InChIKeyPTHZRIFDRAOPFK-UHFFFAOYSA-N
XLogP0.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydroxypropyl)pyrrolidine-1-sulfonamide
CID 66176482
N-(2-chloropropyl)pyrrolidine-1-sulfonamide
CID 65033458
N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide
CID 115302890
N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide
CID 66107139
N-(methylaminomethyl)piperidine-1-sulfonamide
CID 117126231
N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide
CID 102912990
N-(3-hydroxybutyl)piperidine-1-sulfonamide
CID 64911230
4-(azepan-1-ylsulfonylamino)-3-methylbutanoic acid
CID 81065684
N-(2-chloro-2-cyclopropylethyl)azepane-1-sulfonamide
CID 65031845
N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 66090656
N-ethylazepane-1-sulfonamide
CID 43213421
N-[2-(2-hydroxyethyl)pentyl]azepane-1-sulfonamide
CID 103836404

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)azepane-1-sulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)azepane-1-sulfonamide (CID 103836832) is N-(3,3-difluoro-2-hydroxypropyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)azepane-1-sulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)azepane-1-sulfonamide is O=S(=O)(NCC(O)C(F)F)N1CCCCCC1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)azepane-1-sulfonamide?
The InChIKey is PTHZRIFDRAOPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O3S/c10-9(11)8(14)7-12-17(15,16)13-5-3-1-2-4-6-13/h8-9,12,14H,1-7H2.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)azepane-1-sulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)azepane-1-sulfonamide has a molecular weight of 272.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)azepane-1-sulfonamide is sourced from PubChem (CID 103836832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).