5-(dimethylamino)-N-[(2S)-1-phenylpropan-2-yl]naphthalene-1-sulfonamide

C21H24N2O2S — CID 12583847

IUPAC5-(dimethylamino)-N-[(2S)-1-phenylpropan-2-yl]naphthalene-1-sulfonamide
SMILESC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C21H24N2O2S/c1-16(15-17-9-5-4-6-10-17)22-26(24,25)21-14-8-11-18-19(21)12-7-13-20(18)23(2)3/h4-14,16,22H,15H2,1-3H3/t16-/m0/s1
InChIKeyFMWUGVLACNSUGH-INIZCTEOSA-N
MW368.50 g/mol
LogP3.82
Rot. Bonds6

About 5-(dimethylamino)-N-[(2S)-1-phenylpropan-2-yl]naphthalene-1-sulfonamide

5-(dimethylamino)-N-[(2S)-1-phenylpropan-2-yl]naphthalene-1-sulfonamide (PubChem CID 12583847) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[(2S)-1-phenylpropan-2-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[(2S)-1-phenylpropan-2-yl]naphthalene-1-sulfonamide
PubChem CID12583847
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name5-(dimethylamino)-N-[(2S)-1-phenylpropan-2-yl]naphthalene-1-sulfonamide
SMILESC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C21H24N2O2S/c1-16(15-17-9-5-4-6-10-17)22-26(24,25)21-14-8-11-18-19(21)12-7-13-20(18)23(2)3/h4-14,16,22H,15H2,1-3H3/t16-/m0/s1
InChIKeyFMWUGVLACNSUGH-INIZCTEOSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[(2S)-1-phenylpropan-2-yl]naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[(2S)-1-phenylpropan-2-yl]naphthalene-1-sulfonamide (CID 12583847) is 5-(dimethylamino)-N-[(2S)-1-phenylpropan-2-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[(2S)-1-phenylpropan-2-yl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[(2S)-1-phenylpropan-2-yl]naphthalene-1-sulfonamide is C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-[(2S)-1-phenylpropan-2-yl]naphthalene-1-sulfonamide?
The InChIKey is FMWUGVLACNSUGH-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-16(15-17-9-5-4-6-10-17)22-26(24,25)21-14-8-11-18-19(21)12-7-13-20(18)23(2)3/h4-14,16,22H,15H2,1-3H3/t16-/m0/s1.
What are the key properties of 5-(dimethylamino)-N-[(2S)-1-phenylpropan-2-yl]naphthalene-1-sulfonamide?
5-(dimethylamino)-N-[(2S)-1-phenylpropan-2-yl]naphthalene-1-sulfonamide has a molecular weight of 368.50 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[(2S)-1-phenylpropan-2-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 12583847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).