4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C18H19N3O6S — CID 7724531

IUPAC4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H19N3O6S/c22-18(19-12-16-4-2-10-27-16)13-6-8-14(9-7-13)20-28(25,26)17-5-1-3-15(11-17)21(23)24/h1,3,5-9,11,16,20H,2,4,10,12H2,(H,19,22)/t16-/m1/s1
InChIKeyKNKQDSADXZEVKA-MRXNPFEDSA-N
MW405.43 g/mol
LogP2.30
Rot. Bonds7

About 4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 7724531) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID7724531
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Name4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H19N3O6S/c22-18(19-12-16-4-2-10-27-16)13-6-8-14(9-7-13)20-28(25,26)17-5-1-3-15(11-17)21(23)24/h1,3,5-9,11,16,20H,2,4,10,12H2,(H,19,22)/t16-/m1/s1
InChIKeyKNKQDSADXZEVKA-MRXNPFEDSA-N
XLogP2.30
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 966750
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43005963
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063950
4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882397
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4658013
4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 18104911
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25391523
3-[[(3-nitrobenzoyl)amino]carbamoyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 24539929
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25350812
N-[4-(cyclopropanecarbonyl)phenyl]-3-nitrobenzenesulfonamide
CID 110604241
3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331189

Frequently Asked Questions

What is the IUPAC name of 4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 7724531) is 4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@H]1CCCO1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is KNKQDSADXZEVKA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N3O6S/c22-18(19-12-16-4-2-10-27-16)13-6-8-14(9-7-13)20-28(25,26)17-5-1-3-15(11-17)21(23)24/h1,3,5-9,11,16,20H,2,4,10,12H2,(H,19,22)/t16-/m1/s1.
What are the key properties of 4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 405.43 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 7724531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).