N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-4-nitrobenzenesulfonamide

C18H16N2O5S — CID 102291729

IUPACN-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H16N2O5S/c21-18(15-6-5-13-3-1-2-4-14(13)11-15)12-19-26(24,25)17-9-7-16(8-10-17)20(22)23/h1-11,18-19,21H,12H2/t18-/m1/s1
InChIKeyLSVNOPJEGHACEZ-GOSISDBHSA-N
MW372.40 g/mol
LogP2.76
Rot. Bonds6

About N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-4-nitrobenzenesulfonamide

N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-4-nitrobenzenesulfonamide (PubChem CID 102291729) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-4-nitrobenzenesulfonamide
PubChem CID102291729
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC NameN-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H16N2O5S/c21-18(15-6-5-13-3-1-2-4-14(13)11-15)12-19-26(24,25)17-9-7-16(8-10-17)20(22)23/h1-11,18-19,21H,12H2/t18-/m1/s1
InChIKeyLSVNOPJEGHACEZ-GOSISDBHSA-N
XLogP2.76
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-nitrobenzenesulfonamide
CID 90497380
N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 70066584
N-(3-amino-2-hydroxypropyl)-4-nitrobenzenesulfonamide
CID 5233001
N-(2-hydroxybutyl)-4-nitrobenzenesulfonamide
CID 113492787
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
(4-nitrophenyl) (3S)-3-[(4-methylphenyl)sulfonylamino]-3-naphthalen-2-ylpropanoate
CID 135065452
3-(4-methoxyphenyl)-1-naphthalen-2-yl-3-(4-nitroanilino)propan-1-ol
CID 132592679
N-[2-[(4-methylphenyl)sulfonylamino]-1-naphthalen-2-ylethyl]-1-phenylethanimine oxide
CID 146166486
N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-nitrobenzenesulfonamide
CID 16831470
N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide
CID 3731751
N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide
CID 103836737
N-[(2R)-2-chloro-2-(4-nitrophenyl)ethyl]-4-methylbenzenesulfonamide
CID 135062464

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-4-nitrobenzenesulfonamide (CID 102291729) is N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-4-nitrobenzenesulfonamide?
The InChIKey is LSVNOPJEGHACEZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16N2O5S/c21-18(15-6-5-13-3-1-2-4-14(13)11-15)12-19-26(24,25)17-9-7-16(8-10-17)20(22)23/h1-11,18-19,21H,12H2/t18-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-4-nitrobenzenesulfonamide?
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-4-nitrobenzenesulfonamide has a molecular weight of 372.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 102291729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).