2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide

C19H13ClN4O7S — CID 3092265

IUPAC2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl
InChIInChI=1S/C19H13ClN4O7S/c20-18-8-7-16(32(30,31)22-13-4-2-6-15(10-13)24(28)29)11-17(18)19(25)21-12-3-1-5-14(9-12)23(26)27/h1-11,22H,(H,21,25)
InChIKeyOWDPXJVMBMUZAD-UHFFFAOYSA-N
MW476.85 g/mol
LogP4.21
Rot. Bonds7

About 2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide

2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide (PubChem CID 3092265) has the molecular formula C19H13ClN4O7S and a molecular weight of 476.85 g/mol. Its IUPAC name is 2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide
PubChem CID3092265
Molecular FormulaC19H13ClN4O7S
Molecular Weight476.85 g/mol
Exact Mass476.02
IUPAC Name2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl
InChIInChI=1S/C19H13ClN4O7S/c20-18-8-7-16(32(30,31)22-13-4-2-6-15(10-13)24(28)29)11-17(18)19(25)21-12-3-1-5-14(9-12)23(26)27/h1-11,22H,(H,21,25)
InChIKeyOWDPXJVMBMUZAD-UHFFFAOYSA-N
XLogP4.21
TPSA161.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.85
LogP ≤ 54.21
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

2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 1381657
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
CID 797365
N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide
CID 19203778
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 22202678
5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide
CID 26561827
N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 33156080
2-chloro-N-(3-chlorophenyl)-5-(methylsulfamoyl)benzamide
CID 9412137
4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide
CID 49014176
5-(benzenesulfonamido)-2-chloro-N-(3-chlorophenyl)benzamide
CID 92674550
N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 30880179
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 4647141

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide (CID 3092265) is 2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide?
The InChIKey is OWDPXJVMBMUZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O7S/c20-18-8-7-16(32(30,31)22-13-4-2-6-15(10-13)24(28)29)11-17(18)19(25)21-12-3-1-5-14(9-12)23(26)27/h1-11,22H,(H,21,25).
What are the key properties of 2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide?
2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide has a molecular weight of 476.85 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 3092265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).