N-[(2S)-4-hydrazinyl-1-phenylmethoxybutan-2-yl]-4-methylnaphthalene-1-sulfonamide

C22H27N3O3S — CID 91080810

IUPACN-[(2S)-4-hydrazinyl-1-phenylmethoxybutan-2-yl]-4-methylnaphthalene-1-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CCNN)COCc2ccccc2)c2ccccc12
InChIInChI=1S/C22H27N3O3S/c1-17-11-12-22(21-10-6-5-9-20(17)21)29(26,27)25-19(13-14-24-23)16-28-15-18-7-3-2-4-8-18/h2-12,19,24-25H,13-16,23H2,1H3/t19-/m0/s1
InChIKeyHDCCWWFEULBTMS-IBGZPJMESA-N
MW413.54 g/mol
LogP2.87
Rot. Bonds10

About N-[(2S)-4-hydrazinyl-1-phenylmethoxybutan-2-yl]-4-methylnaphthalene-1-sulfonamide

N-[(2S)-4-hydrazinyl-1-phenylmethoxybutan-2-yl]-4-methylnaphthalene-1-sulfonamide (PubChem CID 91080810) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[(2S)-4-hydrazinyl-1-phenylmethoxybutan-2-yl]-4-methylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-4-hydrazinyl-1-phenylmethoxybutan-2-yl]-4-methylnaphthalene-1-sulfonamide
PubChem CID91080810
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-[(2S)-4-hydrazinyl-1-phenylmethoxybutan-2-yl]-4-methylnaphthalene-1-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CCNN)COCc2ccccc2)c2ccccc12
InChIInChI=1S/C22H27N3O3S/c1-17-11-12-22(21-10-6-5-9-20(17)21)29(26,27)25-19(13-14-24-23)16-28-15-18-7-3-2-4-8-18/h2-12,19,24-25H,13-16,23H2,1H3/t19-/m0/s1
InChIKeyHDCCWWFEULBTMS-IBGZPJMESA-N
XLogP2.87
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-hydrazinyl-1-phenylmethoxybutan-2-yl]-4-methylnaphthalene-1-sulfonamide?
The IUPAC name of N-[(2S)-4-hydrazinyl-1-phenylmethoxybutan-2-yl]-4-methylnaphthalene-1-sulfonamide (CID 91080810) is N-[(2S)-4-hydrazinyl-1-phenylmethoxybutan-2-yl]-4-methylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-[(2S)-4-hydrazinyl-1-phenylmethoxybutan-2-yl]-4-methylnaphthalene-1-sulfonamide?
The canonical SMILES for N-[(2S)-4-hydrazinyl-1-phenylmethoxybutan-2-yl]-4-methylnaphthalene-1-sulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](CCNN)COCc2ccccc2)c2ccccc12.
What is the InChIKey of N-[(2S)-4-hydrazinyl-1-phenylmethoxybutan-2-yl]-4-methylnaphthalene-1-sulfonamide?
The InChIKey is HDCCWWFEULBTMS-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-17-11-12-22(21-10-6-5-9-20(17)21)29(26,27)25-19(13-14-24-23)16-28-15-18-7-3-2-4-8-18/h2-12,19,24-25H,13-16,23H2,1H3/t19-/m0/s1.
What are the key properties of N-[(2S)-4-hydrazinyl-1-phenylmethoxybutan-2-yl]-4-methylnaphthalene-1-sulfonamide?
N-[(2S)-4-hydrazinyl-1-phenylmethoxybutan-2-yl]-4-methylnaphthalene-1-sulfonamide has a molecular weight of 413.54 g/mol, XLogP of 2.87, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-hydrazinyl-1-phenylmethoxybutan-2-yl]-4-methylnaphthalene-1-sulfonamide is sourced from PubChem (CID 91080810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).