N-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide

C10H14F2N2O2S — CID 114141081

IUPACN-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C10H14F2N2O2S/c1-13-5-2-6-17(15,16)14-10-7-8(11)3-4-9(10)12/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyKCGBQKIQQAIECR-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.32
Rot. Bonds6

About N-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide

N-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide (PubChem CID 114141081) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide
PubChem CID114141081
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC NameN-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C10H14F2N2O2S/c1-13-5-2-6-17(15,16)14-10-7-8(11)3-4-9(10)12/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyKCGBQKIQQAIECR-UHFFFAOYSA-N
XLogP1.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-5-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106071793
N-(4-fluoro-2-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 114132436
N-(2,5-difluorophenyl)-2-hydroxyethanesulfonamide
CID 79026481
N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106074571
2-(methylamino)-N-(2,4,5-trifluorophenyl)ethanesulfonamide
CID 62809009
2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide
CID 16783174
4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069515
N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106086490
N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106060812
4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide
CID 116815061
N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106089645
N-(2-fluoro-5-methylphenyl)propane-1-sulfonamide
CID 60641408

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide (CID 114141081) is N-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide is CNCCCS(=O)(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide?
The InChIKey is KCGBQKIQQAIECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-13-5-2-6-17(15,16)14-10-7-8(11)3-4-9(10)12/h3-4,7,13-14H,2,5-6H2,1H3.
What are the key properties of N-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide?
N-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide has a molecular weight of 264.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide is sourced from PubChem (CID 114141081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).