3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide

C14H11Cl2N3O5S — CID 92647267

IUPAC3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O5S/c1-25(23,24)18-12-5-2-8(6-11(12)16)14(20)17-13-7-9(19(21)22)3-4-10(13)15/h2-7,18H,1H3,(H,17,20)
InChIKeyMFFGFFUIDCGGBE-UHFFFAOYSA-N
MW404.23 g/mol
LogP3.53
Rot. Bonds5

About 3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide

3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide (PubChem CID 92647267) has the molecular formula C14H11Cl2N3O5S and a molecular weight of 404.23 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide
PubChem CID92647267
Molecular FormulaC14H11Cl2N3O5S
Molecular Weight404.23 g/mol
Exact Mass402.98
IUPAC Name3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O5S/c1-25(23,24)18-12-5-2-8(6-11(12)16)14(20)17-13-7-9(19(21)22)3-4-10(13)15/h2-7,18H,1H3,(H,17,20)
InChIKeyMFFGFFUIDCGGBE-UHFFFAOYSA-N
XLogP3.53
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.23
LogP ≤ 53.53
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-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
CID 867680
3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide
CID 28636075
4-chloro-3-(methanesulfonamido)-N-(3-nitrophenyl)benzamide
CID 49014176
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
N-(2-chloro-5-nitrophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062807
3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 43708411
3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 2913893
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
CID 17102145
3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide
CID 25217158
N-(2-chloro-4-nitrophenyl)-4-methyl-3-nitrobenzamide
CID 5099855
N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide
CID 4985989
N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
CID 5222418

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide?
The IUPAC name of 3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide (CID 92647267) is 3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide?
The canonical SMILES for 3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide?
The InChIKey is MFFGFFUIDCGGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O5S/c1-25(23,24)18-12-5-2-8(6-11(12)16)14(20)17-13-7-9(19(21)22)3-4-10(13)15/h2-7,18H,1H3,(H,17,20).
What are the key properties of 3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide?
3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide has a molecular weight of 404.23 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 92647267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).