benzyl N-[3-(4-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate

C17H18FNO6S — CID 171856238

IUPACbenzyl N-[3-(4-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1ccc(S(=O)(=O)F)cc1)OCc1ccccc1
InChIInChI=1S/C17H18FNO6S/c18-26(23,24)14-8-6-13(7-9-14)16(21)15(20)10-19-17(22)25-11-12-4-2-1-3-5-12/h1-9,15-16,20-21H,10-11H2,(H,19,22)
InChIKeyWABPNPQHULAUMP-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.67
Rot. Bonds7

About benzyl N-[3-(4-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate

benzyl N-[3-(4-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 171856238) has the molecular formula C17H18FNO6S and a molecular weight of 383.40 g/mol. Its IUPAC name is benzyl N-[3-(4-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(4-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate
PubChem CID171856238
Molecular FormulaC17H18FNO6S
Molecular Weight383.40 g/mol
Exact Mass383.08
IUPAC Namebenzyl N-[3-(4-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1ccc(S(=O)(=O)F)cc1)OCc1ccccc1
InChIInChI=1S/C17H18FNO6S/c18-26(23,24)14-8-6-13(7-9-14)16(21)15(20)10-19-17(22)25-11-12-4-2-1-3-5-12/h1-9,15-16,20-21H,10-11H2,(H,19,22)
InChIKeyWABPNPQHULAUMP-UHFFFAOYSA-N
XLogP1.67
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[3-(4-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855602
benzyl N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171856317
benzyl N-[2,3-dihydroxy-3-[4-(methylamino)phenyl]propyl]carbamate
CID 171855663
benzyl N-[3-(4-formylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855537
benzyl N-[2,3-dihydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]carbamate
CID 171856454
benzyl N-[2,3-dihydroxy-3-[4-(4,4,4-trifluoro-3-oxobutanoyl)phenyl]propyl]carbamate
CID 171856951
2-[4-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenyl]-2-methylpropanoic acid
CID 171856785
benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855731
2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid
CID 171856460
benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate
CID 171856903
benzyl N-[3-(3-fluoro-5-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855464
benzyl N-[2,3-dihydroxy-3-(4-pyrazol-1-ylphenyl)propyl]carbamate
CID 171856680

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(4-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-(4-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate (CID 171856238) is benzyl N-[3-(4-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(4-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-(4-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate is O=C(NCC(O)C(O)c1ccc(S(=O)(=O)F)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(4-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is WABPNPQHULAUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO6S/c18-26(23,24)14-8-6-13(7-9-14)16(21)15(20)10-19-17(22)25-11-12-4-2-1-3-5-12/h1-9,15-16,20-21H,10-11H2,(H,19,22).
What are the key properties of benzyl N-[3-(4-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-(4-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 383.40 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(4-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171856238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).