1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide

C26H26N2O4S2 — CID 1274088

IUPAC1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
SMILESC[C@H](NS(=O)(=O)c1cccc2c(S(=O)(=O)N[C@@H](C)c3ccccc3)cccc12)c1ccccc1
InChIInChI=1S/C26H26N2O4S2/c1-19(21-11-5-3-6-12-21)27-33(29,30)25-17-9-16-24-23(25)15-10-18-26(24)34(31,32)28-20(2)22-13-7-4-8-14-22/h3-20,27-28H,1-2H3/t19-,20-/m0/s1
InChIKeyRLHPNFPFPPWBAZ-PMACEKPBSA-N
MW494.64 g/mol
LogP4.92
Rot. Bonds8

About 1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide

1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide (PubChem CID 1274088) has the molecular formula C26H26N2O4S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is 1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide.

Molecular Properties

Compound Name1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
PubChem CID1274088
Molecular FormulaC26H26N2O4S2
Molecular Weight494.64 g/mol
Exact Mass494.13
IUPAC Name1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
SMILESC[C@H](NS(=O)(=O)c1cccc2c(S(=O)(=O)N[C@@H](C)c3ccccc3)cccc12)c1ccccc1
InChIInChI=1S/C26H26N2O4S2/c1-19(21-11-5-3-6-12-21)27-33(29,30)25-17-9-16-24-23(25)15-10-18-26(24)34(31,32)28-20(2)22-13-7-4-8-14-22/h3-20,27-28H,1-2H3/t19-,20-/m0/s1
InChIKeyRLHPNFPFPPWBAZ-PMACEKPBSA-N
XLogP4.92
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1-phenylethyl)naphthalene-1-sulfonamide
CID 91670103
4-bromo-N-(1-phenylethyl)naphthalene-1-sulfonamide
CID 91670104
4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide
CID 99798402
2-amino-N-(1-phenylethyl)benzenesulfonamide
CID 16788499
N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide
CID 3415984
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 3805772
3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 34959830
3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide
CID 46518023
2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide
CID 107864042
2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103833619
5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 74227480

Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide?
The IUPAC name of 1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide (CID 1274088) is 1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide.
What is the SMILES notation for 1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide?
The canonical SMILES for 1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide is C[C@H](NS(=O)(=O)c1cccc2c(S(=O)(=O)N[C@@H](C)c3ccccc3)cccc12)c1ccccc1.
What is the InChIKey of 1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide?
The InChIKey is RLHPNFPFPPWBAZ-PMACEKPBSA-N. The full InChI is InChI=1S/C26H26N2O4S2/c1-19(21-11-5-3-6-12-21)27-33(29,30)25-17-9-16-24-23(25)15-10-18-26(24)34(31,32)28-20(2)22-13-7-4-8-14-22/h3-20,27-28H,1-2H3/t19-,20-/m0/s1.
What are the key properties of 1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide?
1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide has a molecular weight of 494.64 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide is sourced from PubChem (CID 1274088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).