N-(4-fluoro-3-nitrophenyl)-3-(propan-2-ylsulfamoyl)benzamide

C16H16FN3O5S — CID 26696750

IUPACN-(4-fluoro-3-nitrophenyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H16FN3O5S/c1-10(2)19-26(24,25)13-5-3-4-11(8-13)16(21)18-12-6-7-14(17)15(9-12)20(22)23/h3-10,19H,1-2H3,(H,18,21)
InChIKeyWPQRVFZEYAXOCY-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.67
Rot. Bonds6

About N-(4-fluoro-3-nitrophenyl)-3-(propan-2-ylsulfamoyl)benzamide

N-(4-fluoro-3-nitrophenyl)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 26696750) has the molecular formula C16H16FN3O5S and a molecular weight of 381.39 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID26696750
Molecular FormulaC16H16FN3O5S
Molecular Weight381.39 g/mol
Exact Mass381.08
IUPAC NameN-(4-fluoro-3-nitrophenyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H16FN3O5S/c1-10(2)19-26(24,25)13-5-3-4-11(8-13)16(21)18-12-6-7-14(17)15(9-12)20(22)23/h3-10,19H,1-2H3,(H,18,21)
InChIKeyWPQRVFZEYAXOCY-UHFFFAOYSA-N
XLogP2.67
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.67
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-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-fluoro-3-nitrophenyl)benzamide
CID 46520259
3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26698538
3-[(3-bromobenzoyl)amino]-N-(4-fluoro-3-nitrophenyl)benzamide
CID 112832453
3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 43346938
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
3-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzoic acid
CID 45407612
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 39265874
N-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26691619
N-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26639375
N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide
CID 90075337
N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-propan-2-yloxybenzamide
CID 1339102

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-3-(propan-2-ylsulfamoyl)benzamide (CID 26696750) is N-(4-fluoro-3-nitrophenyl)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-3-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is WPQRVFZEYAXOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O5S/c1-10(2)19-26(24,25)13-5-3-4-11(8-13)16(21)18-12-6-7-14(17)15(9-12)20(22)23/h3-10,19H,1-2H3,(H,18,21).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-3-(propan-2-ylsulfamoyl)benzamide?
N-(4-fluoro-3-nitrophenyl)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 381.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 26696750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).