N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide

C11H16F2N2O2S — CID 114141175

IUPACN-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H16F2N2O2S/c1-3-14-7-8(2)18(16,17)15-9-4-5-10(12)11(13)6-9/h4-6,8,14-15H,3,7H2,1-2H3
InChIKeyHNMVKCLWYZXNAX-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.70
Rot. Bonds6

About N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide

N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide (PubChem CID 114141175) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide
PubChem CID114141175
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC NameN-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H16F2N2O2S/c1-3-14-7-8(2)18(16,17)15-9-4-5-10(12)11(13)6-9/h4-6,8,14-15H,3,7H2,1-2H3
InChIKeyHNMVKCLWYZXNAX-UHFFFAOYSA-N
XLogP1.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide
CID 106058008
N-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide
CID 106073055
N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylamino)propane-2-sulfonamide
CID 106059583
N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 107447139
1-(propylamino)-N-(2,4,5-trifluorophenyl)propane-2-sulfonamide
CID 106056088
N-[4-[(3,4-difluoroanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939016
N-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide
CID 114135666
N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide
CID 114140099
N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106060646
N-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide
CID 106023482
N-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide
CID 107278431
2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine
CID 62485370

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide (CID 114141175) is N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide is CCNCC(C)S(=O)(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide?
The InChIKey is HNMVKCLWYZXNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-3-14-7-8(2)18(16,17)15-9-4-5-10(12)11(13)6-9/h4-6,8,14-15H,3,7H2,1-2H3.
What are the key properties of N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide?
N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide has a molecular weight of 278.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide is sourced from PubChem (CID 114141175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).