2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide

C16H16ClN3O6S — CID 9106447

IUPAC2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H16ClN3O6S/c1-19(2)27(24,25)15-8-10(4-7-14(15)26-3)18-16(21)12-9-11(20(22)23)5-6-13(12)17/h4-9H,1-3H3,(H,18,21)
InChIKeyUQDPCKZQKRITEG-UHFFFAOYSA-N
MW413.84 g/mol
LogP2.76
Rot. Bonds6

About 2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide

2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide (PubChem CID 9106447) has the molecular formula C16H16ClN3O6S and a molecular weight of 413.84 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide
PubChem CID9106447
Molecular FormulaC16H16ClN3O6S
Molecular Weight413.84 g/mol
Exact Mass413.04
IUPAC Name2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H16ClN3O6S/c1-19(2)27(24,25)15-8-10(4-7-14(15)26-3)18-16(21)12-9-11(20(22)23)5-6-13(12)17/h4-9H,1-3H3,(H,18,21)
InChIKeyUQDPCKZQKRITEG-UHFFFAOYSA-N
XLogP2.76
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 52.76
H-Bond Donors ≤ 51
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

2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 35139385
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(3-nitroanilino)acetamide
CID 46537107
methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 55556618
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9203751
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methyl-4-nitrobenzamide
CID 9106568
N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55339628
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2,4-dimethoxybenzamide
CID 9106537
2-chloro-N-[4-(dimethylamino)phenyl]-5-nitrobenzamide
CID 874261
2-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-nitrobenzamide
CID 39975932
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide (CID 9106447) is 2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide is COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide?
The InChIKey is UQDPCKZQKRITEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O6S/c1-19(2)27(24,25)15-8-10(4-7-14(15)26-3)18-16(21)12-9-11(20(22)23)5-6-13(12)17/h4-9H,1-3H3,(H,18,21).
What are the key properties of 2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide?
2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide has a molecular weight of 413.84 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide is sourced from PubChem (CID 9106447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).