N-[(R)-1H-indol-3-yl(thiophen-2-yl)methyl]naphthalene-1-sulfonamide

C23H18N2O2S2 — CID 135025057

IUPACN-[(R)-1H-indol-3-yl(thiophen-2-yl)methyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(N[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C23H18N2O2S2/c26-29(27,22-13-5-8-16-7-1-2-9-17(16)22)25-23(21-12-6-14-28-21)19-15-24-20-11-4-3-10-18(19)20/h1-15,23-25H/t23-/m1/s1
InChIKeyYCZKPBKHIVISHL-HSZRJFAPSA-N
MW418.54 g/mol
LogP5.45
Rot. Bonds5

About N-[(R)-1H-indol-3-yl(thiophen-2-yl)methyl]naphthalene-1-sulfonamide

N-[(R)-1H-indol-3-yl(thiophen-2-yl)methyl]naphthalene-1-sulfonamide (PubChem CID 135025057) has the molecular formula C23H18N2O2S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[(R)-1H-indol-3-yl(thiophen-2-yl)methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(R)-1H-indol-3-yl(thiophen-2-yl)methyl]naphthalene-1-sulfonamide
PubChem CID135025057
Molecular FormulaC23H18N2O2S2
Molecular Weight418.54 g/mol
Exact Mass418.08
IUPAC NameN-[(R)-1H-indol-3-yl(thiophen-2-yl)methyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(N[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C23H18N2O2S2/c26-29(27,22-13-5-8-16-7-1-2-9-17(16)22)25-23(21-12-6-14-28-21)19-15-24-20-11-4-3-10-18(19)20/h1-15,23-25H/t23-/m1/s1
InChIKeyYCZKPBKHIVISHL-HSZRJFAPSA-N
XLogP5.45
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-1H-indol-3-yl(thiophen-2-yl)methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(R)-1H-indol-3-yl(thiophen-2-yl)methyl]naphthalene-1-sulfonamide (CID 135025057) is N-[(R)-1H-indol-3-yl(thiophen-2-yl)methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(R)-1H-indol-3-yl(thiophen-2-yl)methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(R)-1H-indol-3-yl(thiophen-2-yl)methyl]naphthalene-1-sulfonamide is O=S(=O)(N[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1cccc2ccccc12.
What is the InChIKey of N-[(R)-1H-indol-3-yl(thiophen-2-yl)methyl]naphthalene-1-sulfonamide?
The InChIKey is YCZKPBKHIVISHL-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H18N2O2S2/c26-29(27,22-13-5-8-16-7-1-2-9-17(16)22)25-23(21-12-6-14-28-21)19-15-24-20-11-4-3-10-18(19)20/h1-15,23-25H/t23-/m1/s1.
What are the key properties of N-[(R)-1H-indol-3-yl(thiophen-2-yl)methyl]naphthalene-1-sulfonamide?
N-[(R)-1H-indol-3-yl(thiophen-2-yl)methyl]naphthalene-1-sulfonamide has a molecular weight of 418.54 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-1H-indol-3-yl(thiophen-2-yl)methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 135025057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).