N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide

C19H21N3O7S — CID 1259278

IUPACN-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H21N3O7S/c23-18(14-4-6-16(7-5-14)22(25)26)13-20-19(24)15-2-1-3-17(12-15)30(27,28)21-8-10-29-11-9-21/h1-7,12,18,23H,8-11,13H2,(H,20,24)/t18-/m1/s1
InChIKeyWWTDDZUXVNFXPK-GOSISDBHSA-N
MW435.46 g/mol
LogP1.08
Rot. Bonds7

About N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide

N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1259278) has the molecular formula C19H21N3O7S and a molecular weight of 435.46 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1259278
Molecular FormulaC19H21N3O7S
Molecular Weight435.46 g/mol
Exact Mass435.11
IUPAC NameN-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H21N3O7S/c23-18(14-4-6-16(7-5-14)22(25)26)13-20-19(24)15-2-1-3-17(12-15)30(27,28)21-8-10-29-11-9-21/h1-7,12,18,23H,8-11,13H2,(H,20,24)/t18-/m1/s1
InChIKeyWWTDDZUXVNFXPK-GOSISDBHSA-N
XLogP1.08
TPSA139.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(4-nitrophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2980848
N-[(2R)-2-hydroxy-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 1256857
N-[(2S)-1-[(2-hydroxy-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 55929660
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 8961150
N-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide
CID 42940229
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide
CID 43064823
3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 2711286
3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 2671800
N-[2-(4-nitroanilino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 41262654
3-morpholin-4-ylsulfonyl-N-[(3-nitrophenyl)methylideneamino]benzamide
CID 2588912
3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide
CID 77097656

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide (CID 1259278) is N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide is O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is WWTDDZUXVNFXPK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21N3O7S/c23-18(14-4-6-16(7-5-14)22(25)26)13-20-19(24)15-2-1-3-17(12-15)30(27,28)21-8-10-29-11-9-21/h1-7,12,18,23H,8-11,13H2,(H,20,24)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 435.46 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1259278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).