5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide

C18H26N2O6S2 — CID 124680579

IUPAC5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1cccc2c(S(=O)(=O)N[C@@H](CC)CO)cccc12
InChIInChI=1S/C18H26N2O6S2/c1-3-13(11-21)19-27(23,24)17-9-5-8-16-15(17)7-6-10-18(16)28(25,26)20-14(4-2)12-22/h5-10,13-14,19-22H,3-4,11-12H2,1-2H3/t13-,14+
InChIKeyRMWHCRSOTOSJJR-OKILXGFUSA-N
MW430.55 g/mol
LogP0.94
Rot. Bonds10

About 5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide

5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide (PubChem CID 124680579) has the molecular formula C18H26N2O6S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide.

Molecular Properties

Compound Name5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide
PubChem CID124680579
Molecular FormulaC18H26N2O6S2
Molecular Weight430.55 g/mol
Exact Mass430.12
IUPAC Name5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1cccc2c(S(=O)(=O)N[C@@H](CC)CO)cccc12
InChIInChI=1S/C18H26N2O6S2/c1-3-13(11-21)19-27(23,24)17-9-5-8-16-15(17)7-6-10-18(16)28(25,26)20-14(4-2)12-22/h5-10,13-14,19-22H,3-4,11-12H2,1-2H3/t13-,14+
InChIKeyRMWHCRSOTOSJJR-OKILXGFUSA-N
XLogP0.94
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide with MolForge

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide
CID 103918665
2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93084103
2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 61052282
2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 65427796
N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide
CID 104981956
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide
CID 97096071
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489
3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868507
2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43498596
2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 51697632
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 65314246

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide?
The IUPAC name of 5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide (CID 124680579) is 5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide.
What is the SMILES notation for 5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide?
The canonical SMILES for 5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide is CC[C@H](CO)NS(=O)(=O)c1cccc2c(S(=O)(=O)N[C@@H](CC)CO)cccc12.
What is the InChIKey of 5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide?
The InChIKey is RMWHCRSOTOSJJR-OKILXGFUSA-N. The full InChI is InChI=1S/C18H26N2O6S2/c1-3-13(11-21)19-27(23,24)17-9-5-8-16-15(17)7-6-10-18(16)28(25,26)20-14(4-2)12-22/h5-10,13-14,19-22H,3-4,11-12H2,1-2H3/t13-,14+.
What are the key properties of 5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide?
5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide has a molecular weight of 430.55 g/mol, XLogP of 0.94, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide is sourced from PubChem (CID 124680579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).