N-[2,4-difluoro-3-(quinolin-6-ylamino)phenyl]propane-1-sulfonamide

C18H17F2N3O2S — CID 90670915

IUPACN-[2,4-difluoro-3-(quinolin-6-ylamino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncccc3c2)c1F
InChIInChI=1S/C18H17F2N3O2S/c1-2-10-26(24,25)23-16-8-6-14(19)18(17(16)20)22-13-5-7-15-12(11-13)4-3-9-21-15/h3-9,11,22-23H,2,10H2,1H3
InChIKeyXBCZFEMUKWMDTC-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.41
Rot. Bonds6

About N-[2,4-difluoro-3-(quinolin-6-ylamino)phenyl]propane-1-sulfonamide

N-[2,4-difluoro-3-(quinolin-6-ylamino)phenyl]propane-1-sulfonamide (PubChem CID 90670915) has the molecular formula C18H17F2N3O2S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[2,4-difluoro-3-(quinolin-6-ylamino)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-(quinolin-6-ylamino)phenyl]propane-1-sulfonamide
PubChem CID90670915
Molecular FormulaC18H17F2N3O2S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC NameN-[2,4-difluoro-3-(quinolin-6-ylamino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncccc3c2)c1F
InChIInChI=1S/C18H17F2N3O2S/c1-2-10-26(24,25)23-16-8-6-14(19)18(17(16)20)22-13-5-7-15-12(11-13)4-3-9-21-15/h3-9,11,22-23H,2,10H2,1H3
InChIKeyXBCZFEMUKWMDTC-UHFFFAOYSA-N
XLogP4.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-(quinolin-6-ylamino)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-(quinolin-6-ylamino)phenyl]propane-1-sulfonamide (CID 90670915) is N-[2,4-difluoro-3-(quinolin-6-ylamino)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-(quinolin-6-ylamino)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-(quinolin-6-ylamino)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncccc3c2)c1F.
What is the InChIKey of N-[2,4-difluoro-3-(quinolin-6-ylamino)phenyl]propane-1-sulfonamide?
The InChIKey is XBCZFEMUKWMDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2S/c1-2-10-26(24,25)23-16-8-6-14(19)18(17(16)20)22-13-5-7-15-12(11-13)4-3-9-21-15/h3-9,11,22-23H,2,10H2,1H3.
What are the key properties of N-[2,4-difluoro-3-(quinolin-6-ylamino)phenyl]propane-1-sulfonamide?
N-[2,4-difluoro-3-(quinolin-6-ylamino)phenyl]propane-1-sulfonamide has a molecular weight of 377.42 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-(quinolin-6-ylamino)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 90670915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).