2-chloro-N-methyl-5-nitro-N-propyl-3-sulfamoylbenzamide

C11H14ClN3O5S — CID 65386412

IUPAC2-chloro-N-methyl-5-nitro-N-propyl-3-sulfamoylbenzamide
SMILESCCCN(C)C(=O)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C11H14ClN3O5S/c1-3-4-14(2)11(16)8-5-7(15(17)18)6-9(10(8)12)21(13,19)20/h5-6H,3-4H2,1-2H3,(H2,13,19,20)
InChIKeyXURYXQYKFPEJHS-UHFFFAOYSA-N
MW335.77 g/mol
LogP1.38
Rot. Bonds5

About 2-chloro-N-methyl-5-nitro-N-propyl-3-sulfamoylbenzamide

2-chloro-N-methyl-5-nitro-N-propyl-3-sulfamoylbenzamide (PubChem CID 65386412) has the molecular formula C11H14ClN3O5S and a molecular weight of 335.77 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-nitro-N-propyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-nitro-N-propyl-3-sulfamoylbenzamide
PubChem CID65386412
Molecular FormulaC11H14ClN3O5S
Molecular Weight335.77 g/mol
Exact Mass335.03
IUPAC Name2-chloro-N-methyl-5-nitro-N-propyl-3-sulfamoylbenzamide
SMILESCCCN(C)C(=O)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C11H14ClN3O5S/c1-3-4-14(2)11(16)8-5-7(15(17)18)6-9(10(8)12)21(13,19)20/h5-6H,3-4H2,1-2H3,(H2,13,19,20)
InChIKeyXURYXQYKFPEJHS-UHFFFAOYSA-N
XLogP1.38
TPSA123.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 51.38
H-Bond Donors ≤ 51
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

2,5-dichloro-N-methyl-N-propyl-3-sulfamoylbenzamide
CID 65388331
N-butyl-2-chloro-5-nitro-3-sulfamoylbenzamide
CID 65374407
2,3-dichloro-N-methyl-5-nitro-N-pentylbenzamide
CID 107187436
2-chloro-5-nitro-N-propan-2-yl-3-sulfamoylbenzamide
CID 65373812
3-[(2,3-dichloro-5-nitrobenzoyl)-methylamino]propanoic acid
CID 107186282
3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide
CID 65387181
5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide
CID 60876962
N-butyl-N-methyl-3-nitro-5-sulfamoylbenzamide
CID 65373486
2-chloro-N-methyl-3-nitro-N-propylbenzamide
CID 112576268
5-chloro-N-methyl-2-nitro-N-propylbenzamide
CID 43271301
N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide
CID 103803326
2-bromo-N-butyl-5-nitro-3-sulfamoylbenzamide
CID 65375952

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-nitro-N-propyl-3-sulfamoylbenzamide?
The IUPAC name of 2-chloro-N-methyl-5-nitro-N-propyl-3-sulfamoylbenzamide (CID 65386412) is 2-chloro-N-methyl-5-nitro-N-propyl-3-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-nitro-N-propyl-3-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-N-methyl-5-nitro-N-propyl-3-sulfamoylbenzamide is CCCN(C)C(=O)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-nitro-N-propyl-3-sulfamoylbenzamide?
The InChIKey is XURYXQYKFPEJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O5S/c1-3-4-14(2)11(16)8-5-7(15(17)18)6-9(10(8)12)21(13,19)20/h5-6H,3-4H2,1-2H3,(H2,13,19,20).
What are the key properties of 2-chloro-N-methyl-5-nitro-N-propyl-3-sulfamoylbenzamide?
2-chloro-N-methyl-5-nitro-N-propyl-3-sulfamoylbenzamide has a molecular weight of 335.77 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-nitro-N-propyl-3-sulfamoylbenzamide is sourced from PubChem (CID 65386412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).