N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide

C20H15ClN2O6S — CID 2907624

IUPACN-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide
SMILESCOc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H15ClN2O6S/c1-29-18-10-8-16(9-11-18)22(30(27,28)19-12-4-15(21)5-13-19)20(24)14-2-6-17(7-3-14)23(25)26/h2-13H,1H3
InChIKeyVGIFRLYMGQWMRE-UHFFFAOYSA-N
MW446.87 g/mol
LogP4.29
Rot. Bonds6

About N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide

N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide (PubChem CID 2907624) has the molecular formula C20H15ClN2O6S and a molecular weight of 446.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide
PubChem CID2907624
Molecular FormulaC20H15ClN2O6S
Molecular Weight446.87 g/mol
Exact Mass446.03
IUPAC NameN-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide
SMILESCOc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H15ClN2O6S/c1-29-18-10-8-16(9-11-18)22(30(27,28)19-12-4-15(21)5-13-19)20(24)14-2-6-17(7-3-14)23(25)26/h2-13H,1H3
InChIKeyVGIFRLYMGQWMRE-UHFFFAOYSA-N
XLogP4.29
TPSA106.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.87
LogP ≤ 54.29
H-Bond Donors ≤ 50
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

4-chloro-N,N'-bis(4-methoxyphenyl)-N-(4-nitrophenyl)sulfonylbenzenecarboximidamide
CID 4863332
N-(benzenesulfonyl)-N-(4-methoxyphenyl)-3,5-dinitrobenzamide
CID 19210794
N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide
CID 19211456
N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-2-methyl-3-nitrobenzamide
CID 19219283
4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide
CID 3436129
N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide
CID 1242568
N-(4-chlorophenyl)sulfonyl-4-methoxy-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide
CID 5051207
N-(4-chlorophenyl)sulfonyl-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide
CID 18560654
N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide
CID 19211344
N-(benzenesulfonyl)-N-(4-ethylphenyl)-4-nitrobenzamide
CID 19210767
N-(4-chlorophenyl)sulfonyl-4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
CID 23746358
2-(4-methoxy-N-(4-nitrophenyl)sulfonylanilino)acetic acid
CID 100525847

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide (CID 2907624) is N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide is COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide?
The InChIKey is VGIFRLYMGQWMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O6S/c1-29-18-10-8-16(9-11-18)22(30(27,28)19-12-4-15(21)5-13-19)20(24)14-2-6-17(7-3-14)23(25)26/h2-13H,1H3.
What are the key properties of N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide?
N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide has a molecular weight of 446.87 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide is sourced from PubChem (CID 2907624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).