4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide

C12H12F2N2O2S — CID 112594590

IUPAC4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide
SMILESNc1ccc(S(=O)(=O)NCC(F)F)c2ccccc12
InChIInChI=1S/C12H12F2N2O2S/c13-12(14)7-16-19(17,18)11-6-5-10(15)8-3-1-2-4-9(8)11/h1-6,12,16H,7,15H2
InChIKeyIXRBNQMLNCMRHX-UHFFFAOYSA-N
MW286.30 g/mol
LogP1.97
Rot. Bonds4

About 4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide

4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide (PubChem CID 112594590) has the molecular formula C12H12F2N2O2S and a molecular weight of 286.30 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide
PubChem CID112594590
Molecular FormulaC12H12F2N2O2S
Molecular Weight286.30 g/mol
Exact Mass286.06
IUPAC Name4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide
SMILESNc1ccc(S(=O)(=O)NCC(F)F)c2ccccc12
InChIInChI=1S/C12H12F2N2O2S/c13-12(14)7-16-19(17,18)11-6-5-10(15)8-3-1-2-4-9(8)11/h1-6,12,16H,7,15H2
InChIKeyIXRBNQMLNCMRHX-UHFFFAOYSA-N
XLogP1.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115405321
4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide
CID 104762860
2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406487
4-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]naphthalene-1-sulfonamide
CID 67954921
2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid
CID 67920315
4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide
CID 115944450
3-amino-4-(2,2-difluoroethylsulfamoyl)benzoic acid
CID 113303512
4-amino-N-(2-prop-2-ynylsulfanylethyl)naphthalene-1-sulfonamide
CID 106430208
4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide
CID 115944465
2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide
CID 115405345
1,1-bis[(4-aminonaphthalen-1-yl)sulfonyl]propane-1,3-diamine
CID 87624232
4-aminonaphthalene-1-sulfonic acid
CID 6790

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide?
The IUPAC name of 4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide (CID 112594590) is 4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide is Nc1ccc(S(=O)(=O)NCC(F)F)c2ccccc12.
What is the InChIKey of 4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide?
The InChIKey is IXRBNQMLNCMRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2S/c13-12(14)7-16-19(17,18)11-6-5-10(15)8-3-1-2-4-9(8)11/h1-6,12,16H,7,15H2.
What are the key properties of 4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide?
4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide has a molecular weight of 286.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 112594590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).