N-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide

C9H10ClF2NO2S — CID 83088363

IUPACN-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C9H10ClF2NO2S/c1-2-3-16(14,15)13-9-7(10)4-6(11)5-8(9)12/h4-5,13H,2-3H2,1H3
InChIKeyMKHAWDJVBHGRBQ-UHFFFAOYSA-N
MW269.70 g/mol
LogP2.77
Rot. Bonds4

About N-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide

N-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide (PubChem CID 83088363) has the molecular formula C9H10ClF2NO2S and a molecular weight of 269.70 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide
PubChem CID83088363
Molecular FormulaC9H10ClF2NO2S
Molecular Weight269.70 g/mol
Exact Mass269.01
IUPAC NameN-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C9H10ClF2NO2S/c1-2-3-16(14,15)13-9-7(10)4-6(11)5-8(9)12/h4-5,13H,2-3H2,1H3
InChIKeyMKHAWDJVBHGRBQ-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide
CID 114141795
N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide
CID 60640147
N-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide
CID 107095513
N-(2,6-dichloro-4-fluorophenyl)-4-(propylamino)butane-1-sulfonamide
CID 106075621
N-(2-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 60640751
N-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 83079123
N-(2-chloro-4,6-difluorophenyl)-4-hydroxybenzenesulfonamide
CID 83088230
N-(2-chloro-4,6-difluorophenyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 83087161
4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069514
2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline
CID 82889250
N-(2,6-difluorophenyl)propane-1-sulfonamide
CID 60640758
N-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106087709

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide (CID 83088363) is N-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide?
The InChIKey is MKHAWDJVBHGRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO2S/c1-2-3-16(14,15)13-9-7(10)4-6(11)5-8(9)12/h4-5,13H,2-3H2,1H3.
What are the key properties of N-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide?
N-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide has a molecular weight of 269.70 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide is sourced from PubChem (CID 83088363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).