N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(furan-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide

C17H22FNO4S2 — CID 102034089

IUPACN-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(furan-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@](C)(c1ccco1)[C@H](F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H22FNO4S2/c1-16(2,3)24(20)19-17(4,14-11-8-12-23-14)15(18)25(21,22)13-9-6-5-7-10-13/h5-12,15,19H,1-4H3/t15-,17-,24?/m1/s1
InChIKeyAMGGIQPUJRANOX-DHHRQEIGSA-N
MW387.50 g/mol
LogP3.32
Rot. Bonds6

About N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(furan-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide

N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(furan-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 102034089) has the molecular formula C17H22FNO4S2 and a molecular weight of 387.50 g/mol. Its IUPAC name is N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(furan-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(furan-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID102034089
Molecular FormulaC17H22FNO4S2
Molecular Weight387.50 g/mol
Exact Mass387.10
IUPAC NameN-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(furan-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@](C)(c1ccco1)[C@H](F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H22FNO4S2/c1-16(2,3)24(20)19-17(4,14-11-8-12-23-14)15(18)25(21,22)13-9-6-5-7-10-13/h5-12,15,19H,1-4H3/t15-,17-,24?/m1/s1
InChIKeyAMGGIQPUJRANOX-DHHRQEIGSA-N
XLogP3.32
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoro-2-(furan-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 135056200
(R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 25170437
(R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide
CID 135055394
1,2,2,3,3,3-hexafluoropropylsulfonylbenzene
CID 175031163
(2S,3R)-3-[[(R)-tert-butylsulfinyl]amino]-2-fluoro-3-(2-fluorophenyl)butanoic acid
CID 121334914
(S)-N-[(1R)-1-(furan-2-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 71288215
(R)-N-[(2R,3S)-1-(benzenesulfonyl)-3-(dibenzylamino)-1-fluoro-4-phenylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 135056179
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide
CID 45003113
bis(benzenesulfonyl)methanesulfinic acid
CID 142336859
N-[(Z)-furan-2-ylmethylideneamino]benzenesulfonamide
CID 6269707
(R)-N-[(1S)-1-(furan-2-yl)propyl]-2-methylpropane-2-sulfinamide
CID 135000754
N-[2-[5-(trifluoromethyl)furan-2-yl]propan-2-yl]benzenesulfonamide
CID 135357174

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(furan-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(furan-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide (CID 102034089) is N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(furan-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(furan-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(furan-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@](C)(c1ccco1)[C@H](F)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(furan-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is AMGGIQPUJRANOX-DHHRQEIGSA-N. The full InChI is InChI=1S/C17H22FNO4S2/c1-16(2,3)24(20)19-17(4,14-11-8-12-23-14)15(18)25(21,22)13-9-6-5-7-10-13/h5-12,15,19H,1-4H3/t15-,17-,24?/m1/s1.
What are the key properties of N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(furan-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide?
N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(furan-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 387.50 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(furan-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 102034089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).