N-(3-aminocyclobutyl)-3-chloro-4-(difluoromethoxy)benzenesulfonamide

C11H13ClF2N2O3S — CID 43597890

IUPACN-(3-aminocyclobutyl)-3-chloro-4-(difluoromethoxy)benzenesulfonamide
SMILESNC1CC(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1
InChIInChI=1S/C11H13ClF2N2O3S/c12-9-5-8(1-2-10(9)19-11(13)14)20(17,18)16-7-3-6(15)4-7/h1-2,5-7,11,16H,3-4,15H2
InChIKeyVIDIMWZEBOFKIX-UHFFFAOYSA-N
MW326.75 g/mol
LogP1.71
Rot. Bonds5

About N-(3-aminocyclobutyl)-3-chloro-4-(difluoromethoxy)benzenesulfonamide

N-(3-aminocyclobutyl)-3-chloro-4-(difluoromethoxy)benzenesulfonamide (PubChem CID 43597890) has the molecular formula C11H13ClF2N2O3S and a molecular weight of 326.75 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-3-chloro-4-(difluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-3-chloro-4-(difluoromethoxy)benzenesulfonamide
PubChem CID43597890
Molecular FormulaC11H13ClF2N2O3S
Molecular Weight326.75 g/mol
Exact Mass326.03
IUPAC NameN-(3-aminocyclobutyl)-3-chloro-4-(difluoromethoxy)benzenesulfonamide
SMILESNC1CC(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1
InChIInChI=1S/C11H13ClF2N2O3S/c12-9-5-8(1-2-10(9)19-11(13)14)20(17,18)16-7-3-6(15)4-7/h1-2,5-7,11,16H,3-4,15H2
InChIKeyVIDIMWZEBOFKIX-UHFFFAOYSA-N
XLogP1.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine
CID 115301754
N-(3-aminocyclobutyl)-4-chloro-3-nitrobenzenesulfonamide
CID 43597673
(3S)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993450
(3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperidin-3-amine
CID 102977579
4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide
CID 39829528
3-chloro-4-(difluoromethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62662823
3-chloro-4-(difluoromethoxy)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65113256
3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide
CID 39824744
3-chloro-4-(difluoromethoxy)-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 97257901
3-chloro-4-(difluoromethoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62662809
(2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104936024
3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65034786

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-3-chloro-4-(difluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(3-aminocyclobutyl)-3-chloro-4-(difluoromethoxy)benzenesulfonamide (CID 43597890) is N-(3-aminocyclobutyl)-3-chloro-4-(difluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-3-chloro-4-(difluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(3-aminocyclobutyl)-3-chloro-4-(difluoromethoxy)benzenesulfonamide is NC1CC(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-3-chloro-4-(difluoromethoxy)benzenesulfonamide?
The InChIKey is VIDIMWZEBOFKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N2O3S/c12-9-5-8(1-2-10(9)19-11(13)14)20(17,18)16-7-3-6(15)4-7/h1-2,5-7,11,16H,3-4,15H2.
What are the key properties of N-(3-aminocyclobutyl)-3-chloro-4-(difluoromethoxy)benzenesulfonamide?
N-(3-aminocyclobutyl)-3-chloro-4-(difluoromethoxy)benzenesulfonamide has a molecular weight of 326.75 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-3-chloro-4-(difluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 43597890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).