3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide

C13H16N2O5S2 — CID 97020376

IUPAC3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide
SMILESC[C@H](Cc1ccco1)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H16N2O5S2/c1-10(8-11-4-3-7-20-11)15-22(18,19)13-6-2-5-12(9-13)21(14,16)17/h2-7,9-10,15H,8H2,1H3,(H2,14,16,17)/t10-/m1/s1
InChIKeyLOTPAMQNOJDBKO-SNVBAGLBSA-N
MW344.41 g/mol
LogP0.84
Rot. Bonds6

About 3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide

3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide (PubChem CID 97020376) has the molecular formula C13H16N2O5S2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide
PubChem CID97020376
Molecular FormulaC13H16N2O5S2
Molecular Weight344.41 g/mol
Exact Mass344.05
IUPAC Name3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide
SMILESC[C@H](Cc1ccco1)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H16N2O5S2/c1-10(8-11-4-3-7-20-11)15-22(18,19)13-6-2-5-12(9-13)21(14,16)17/h2-7,9-10,15H,8H2,1H3,(H2,14,16,17)/t10-/m1/s1
InChIKeyLOTPAMQNOJDBKO-SNVBAGLBSA-N
XLogP0.84
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide
CID 81258780
3-(aminomethyl)-4-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 63288766
2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide
CID 61051425
3-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 63085665
4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 82907696
2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 61126634
3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide
CID 63085133
N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide
CID 61470755
4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 60959654
3-N-pent-4-en-2-ylbenzene-1,3-disulfonamide
CID 115632091
4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide
CID 51078414
4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 116528376

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide?
The IUPAC name of 3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide (CID 97020376) is 3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide is C[C@H](Cc1ccco1)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide?
The InChIKey is LOTPAMQNOJDBKO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2O5S2/c1-10(8-11-4-3-7-20-11)15-22(18,19)13-6-2-5-12(9-13)21(14,16)17/h2-7,9-10,15H,8H2,1H3,(H2,14,16,17)/t10-/m1/s1.
What are the key properties of 3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide?
3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide has a molecular weight of 344.41 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide is sourced from PubChem (CID 97020376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).