4-[[(1S)-1-phenylpropyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C18H19N3O2S2 — CID 134586447

IUPAC4-[[(1S)-1-phenylpropyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC[C@H](Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1
InChIInChI=1S/C18H19N3O2S2/c1-2-17(14-6-4-3-5-7-14)20-15-8-10-16(11-9-15)25(22,23)21-18-19-12-13-24-18/h3-13,17,20H,2H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyIZFPWSRDXPTRBZ-KRWDZBQOSA-N
MW373.50 g/mol
LogP4.51
Rot. Bonds7

About 4-[[(1S)-1-phenylpropyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[[(1S)-1-phenylpropyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 134586447) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-[[(1S)-1-phenylpropyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[(1S)-1-phenylpropyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID134586447
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name4-[[(1S)-1-phenylpropyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC[C@H](Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1
InChIInChI=1S/C18H19N3O2S2/c1-2-17(14-6-4-3-5-7-14)20-15-8-10-16(11-9-15)25(22,23)21-18-19-12-13-24-18/h3-13,17,20H,2H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyIZFPWSRDXPTRBZ-KRWDZBQOSA-N
XLogP4.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-1-phenylpropyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[[(1S)-1-phenylpropyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 134586447) is 4-[[(1S)-1-phenylpropyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[[(1S)-1-phenylpropyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[[(1S)-1-phenylpropyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is CC[C@H](Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1.
What is the InChIKey of 4-[[(1S)-1-phenylpropyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IZFPWSRDXPTRBZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-2-17(14-6-4-3-5-7-14)20-15-8-10-16(11-9-15)25(22,23)21-18-19-12-13-24-18/h3-13,17,20H,2H2,1H3,(H,19,21)/t17-/m0/s1.
What are the key properties of 4-[[(1S)-1-phenylpropyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[[(1S)-1-phenylpropyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 373.50 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-1-phenylpropyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 134586447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).