N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide

C20H16ClN3O5S — CID 26593187

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C20H16ClN3O5S/c1-13-16(8-5-11-19(13)24(26)27)20(25)22-14-6-4-7-15(12-14)30(28,29)23-18-10-3-2-9-17(18)21/h2-12,23H,1H3,(H,22,25)
InChIKeyZYJVIEIVXFZIIC-UHFFFAOYSA-N
MW445.88 g/mol
LogP4.61
Rot. Bonds6

About N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide (PubChem CID 26593187) has the molecular formula C20H16ClN3O5S and a molecular weight of 445.88 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide
PubChem CID26593187
Molecular FormulaC20H16ClN3O5S
Molecular Weight445.88 g/mol
Exact Mass445.05
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C20H16ClN3O5S/c1-13-16(8-5-11-19(13)24(26)27)20(25)22-14-6-4-7-15(12-14)30(28,29)23-18-10-3-2-9-17(18)21/h2-12,23H,1H3,(H,22,25)
InChIKeyZYJVIEIVXFZIIC-UHFFFAOYSA-N
XLogP4.61
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.88
LogP ≤ 54.61
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

3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 39265874
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide
CID 26593085
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
2,5-dichloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26593136
N-(3-chlorophenyl)-2-methyl-3-nitrobenzamide
CID 803481
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(trifluoromethyl)benzamide
CID 32738196
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 26593186
N-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide
CID 710986
N-(3-bromophenyl)-2-methyl-3-nitrobenzamide
CID 799056
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methyl-2-nitrobenzamide
CID 35933008
N-[2-[[3-[(2-chlorophenyl)sulfamoyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 39891473
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 997658

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide (CID 26593187) is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide is Cc1c(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cccc1[N+](=O)[O-].
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide?
The InChIKey is ZYJVIEIVXFZIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O5S/c1-13-16(8-5-11-19(13)24(26)27)20(25)22-14-6-4-7-15(12-14)30(28,29)23-18-10-3-2-9-17(18)21/h2-12,23H,1H3,(H,22,25).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide?
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide has a molecular weight of 445.88 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 26593187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).