4-chloro-N,N-dimethyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide

C16H16ClN3O5S — CID 55896087

IUPAC4-chloro-N,N-dimethyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide
SMILESCc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(Cl)ccc1C(=O)N(C)C
InChIInChI=1S/C16H16ClN3O5S/c1-10-5-4-6-14(20(22)23)15(10)26(24,25)18-13-9-11(17)7-8-12(13)16(21)19(2)3/h4-9,18H,1-3H3
InChIKeyDCIUEJPJNGITLK-UHFFFAOYSA-N
MW397.84 g/mol
LogP3.06
Rot. Bonds5

About 4-chloro-N,N-dimethyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide

4-chloro-N,N-dimethyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide (PubChem CID 55896087) has the molecular formula C16H16ClN3O5S and a molecular weight of 397.84 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide
PubChem CID55896087
Molecular FormulaC16H16ClN3O5S
Molecular Weight397.84 g/mol
Exact Mass397.05
IUPAC Name4-chloro-N,N-dimethyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide
SMILESCc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(Cl)ccc1C(=O)N(C)C
InChIInChI=1S/C16H16ClN3O5S/c1-10-5-4-6-14(20(22)23)15(10)26(24,25)18-13-9-11(17)7-8-12(13)16(21)19(2)3/h4-9,18H,1-3H3
InChIKeyDCIUEJPJNGITLK-UHFFFAOYSA-N
XLogP3.06
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 53.06
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

N,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide
CID 60534815
4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000922
N-(5-chloro-2-pyrazol-1-ylphenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 60534295
N-(3-chloro-4-fluorophenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 60532770
4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000948
N-(2,4-difluorophenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 60532982
N,2-dimethyl-6-nitrobenzenesulfonamide
CID 43446418
N-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 43605528
2-[(2-bromo-4-methylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
CID 39833794
4-chloro-2-[(2,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000972
4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
CID 55604034
2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
CID 43063617

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide (CID 55896087) is 4-chloro-N,N-dimethyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide is Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(Cl)ccc1C(=O)N(C)C.
What is the InChIKey of 4-chloro-N,N-dimethyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is DCIUEJPJNGITLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O5S/c1-10-5-4-6-14(20(22)23)15(10)26(24,25)18-13-9-11(17)7-8-12(13)16(21)19(2)3/h4-9,18H,1-3H3.
What are the key properties of 4-chloro-N,N-dimethyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide?
4-chloro-N,N-dimethyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 397.84 g/mol, XLogP of 3.06, 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-dimethyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 55896087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).