4-chloro-N,N-diethyl-3-nitro-5-sulfamoylbenzamide

C11H14ClN3O5S — CID 65373222

IUPAC4-chloro-N,N-diethyl-3-nitro-5-sulfamoylbenzamide
SMILESCCN(CC)C(=O)c1cc([N+](=O)[O-])c(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H14ClN3O5S/c1-3-14(4-2)11(16)7-5-8(15(17)18)10(12)9(6-7)21(13,19)20/h5-6H,3-4H2,1-2H3,(H2,13,19,20)
InChIKeyXUFRZZNAAKJBSR-UHFFFAOYSA-N
MW335.77 g/mol
LogP1.38
Rot. Bonds5

About 4-chloro-N,N-diethyl-3-nitro-5-sulfamoylbenzamide

4-chloro-N,N-diethyl-3-nitro-5-sulfamoylbenzamide (PubChem CID 65373222) has the molecular formula C11H14ClN3O5S and a molecular weight of 335.77 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-3-nitro-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-3-nitro-5-sulfamoylbenzamide
PubChem CID65373222
Molecular FormulaC11H14ClN3O5S
Molecular Weight335.77 g/mol
Exact Mass335.03
IUPAC Name4-chloro-N,N-diethyl-3-nitro-5-sulfamoylbenzamide
SMILESCCN(CC)C(=O)c1cc([N+](=O)[O-])c(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H14ClN3O5S/c1-3-14(4-2)11(16)7-5-8(15(17)18)10(12)9(6-7)21(13,19)20/h5-6H,3-4H2,1-2H3,(H2,13,19,20)
InChIKeyXUFRZZNAAKJBSR-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

methyl 4-chloro-3-nitro-5-sulfamoylbenzoate
CID 18945444
N-butyl-3,4-dichloro-N-ethyl-5-nitrobenzamide
CID 43215514
2-chloro-5-methyl-3-nitrobenzenesulfonamide
CID 63839177
N,N-dibutyl-4-chloro-3,5-dinitrobenzamide
CID 4634267
3,4-dichloro-N-ethyl-5-nitro-N-propan-2-ylbenzamide
CID 43377659
N,N-di(butan-2-yl)-4-chloro-3,5-dinitrobenzamide
CID 4089041
3-bromo-N,N-diethyl-4-nitrobenzamide
CID 118246728
4-amino-3-chloro-N-ethyl-N-(2-methoxyethyl)-5-nitrobenzamide
CID 62162114
3,4,5-trichloro-N,N-diethylbenzamide
CID 50849492
5-acetyl-2-methyl-3-nitrobenzenesulfonamide
CID 63839838
2,4-dichloro-N,N-diethyl-5-sulfamoylbenzamide
CID 60635894
N,N-diethyl-4-[(4-methylphenyl)methylsulfonyl]-3-nitrobenzamide
CID 3594853

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-3-nitro-5-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N,N-diethyl-3-nitro-5-sulfamoylbenzamide (CID 65373222) is 4-chloro-N,N-diethyl-3-nitro-5-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N,N-diethyl-3-nitro-5-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N,N-diethyl-3-nitro-5-sulfamoylbenzamide is CCN(CC)C(=O)c1cc([N+](=O)[O-])c(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-chloro-N,N-diethyl-3-nitro-5-sulfamoylbenzamide?
The InChIKey is XUFRZZNAAKJBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O5S/c1-3-14(4-2)11(16)7-5-8(15(17)18)10(12)9(6-7)21(13,19)20/h5-6H,3-4H2,1-2H3,(H2,13,19,20).
What are the key properties of 4-chloro-N,N-diethyl-3-nitro-5-sulfamoylbenzamide?
4-chloro-N,N-diethyl-3-nitro-5-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 4-chloro-N,N-diethyl-3-nitro-5-sulfamoylbenzamide is sourced from PubChem (CID 65373222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).