N-(1,3-diaminopropan-2-yl)-4-(difluoromethoxy)benzenesulfonamide

C10H15F2N3O3S — CID 167775833

IUPACN-(1,3-diaminopropan-2-yl)-4-(difluoromethoxy)benzenesulfonamide
SMILESNCC(CN)NS(=O)(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H15F2N3O3S/c11-10(12)18-8-1-3-9(4-2-8)19(16,17)15-7(5-13)6-14/h1-4,7,10,15H,5-6,13-14H2
InChIKeyIYZGFGLHLNHIDD-UHFFFAOYSA-N
MW295.31 g/mol
LogP-0.15
Rot. Bonds7

About N-(1,3-diaminopropan-2-yl)-4-(difluoromethoxy)benzenesulfonamide

N-(1,3-diaminopropan-2-yl)-4-(difluoromethoxy)benzenesulfonamide (PubChem CID 167775833) has the molecular formula C10H15F2N3O3S and a molecular weight of 295.31 g/mol. Its IUPAC name is N-(1,3-diaminopropan-2-yl)-4-(difluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-diaminopropan-2-yl)-4-(difluoromethoxy)benzenesulfonamide
PubChem CID167775833
Molecular FormulaC10H15F2N3O3S
Molecular Weight295.31 g/mol
Exact Mass295.08
IUPAC NameN-(1,3-diaminopropan-2-yl)-4-(difluoromethoxy)benzenesulfonamide
SMILESNCC(CN)NS(=O)(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H15F2N3O3S/c11-10(12)18-8-1-3-9(4-2-8)19(16,17)15-7(5-13)6-14/h1-4,7,10,15H,5-6,13-14H2
InChIKeyIYZGFGLHLNHIDD-UHFFFAOYSA-N
XLogP-0.15
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethoxy)benzenesulfonate
CID 150290603
1-(difluoromethoxy)-4-ethylsulfonylbenzene
CID 71207645
N-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119983396
4-[[4-(difluoromethoxy)phenyl]sulfamoyl]benzamide
CID 46644155
4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 29350986
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 80697633
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 104873326
N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119993050
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119992966
5-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]furan-2-sulfonamide
CID 106030486

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diaminopropan-2-yl)-4-(difluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(1,3-diaminopropan-2-yl)-4-(difluoromethoxy)benzenesulfonamide (CID 167775833) is N-(1,3-diaminopropan-2-yl)-4-(difluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(1,3-diaminopropan-2-yl)-4-(difluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(1,3-diaminopropan-2-yl)-4-(difluoromethoxy)benzenesulfonamide is NCC(CN)NS(=O)(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-(1,3-diaminopropan-2-yl)-4-(difluoromethoxy)benzenesulfonamide?
The InChIKey is IYZGFGLHLNHIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O3S/c11-10(12)18-8-1-3-9(4-2-8)19(16,17)15-7(5-13)6-14/h1-4,7,10,15H,5-6,13-14H2.
What are the key properties of N-(1,3-diaminopropan-2-yl)-4-(difluoromethoxy)benzenesulfonamide?
N-(1,3-diaminopropan-2-yl)-4-(difluoromethoxy)benzenesulfonamide has a molecular weight of 295.31 g/mol, XLogP of -0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diaminopropan-2-yl)-4-(difluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 167775833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).