5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide

C18H21ClN2O4S — CID 108572214

IUPAC5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCNS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C18H21ClN2O4S/c1-12-4-6-15(10-13(12)2)26(23,24)21-9-8-20-18(22)16-11-14(19)5-7-17(16)25-3/h4-7,10-11,21H,8-9H2,1-3H3,(H,20,22)
InChIKeyFLYUKSSTYJBHBC-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.67
Rot. Bonds7

About 5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide

5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide (PubChem CID 108572214) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide
PubChem CID108572214
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCNS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C18H21ClN2O4S/c1-12-4-6-15(10-13(12)2)26(23,24)21-9-8-20-18(22)16-11-14(19)5-7-17(16)25-3/h4-7,10-11,21H,8-9H2,1-3H3,(H,20,22)
InChIKeyFLYUKSSTYJBHBC-UHFFFAOYSA-N
XLogP2.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572836
3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 108571401
2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 33340835
5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 170994520
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide
CID 47038015
5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108540892
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994768
5-[(4-chlorophenyl)sulfamoyl]-2-methoxy-N-propylbenzamide
CID 27262052
2-methoxy-5-(methylsulfamoyl)-N-propylbenzamide
CID 27260718
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873
5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108540887

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide (CID 108572214) is 5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCNS(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide?
The InChIKey is FLYUKSSTYJBHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-12-4-6-15(10-13(12)2)26(23,24)21-9-8-20-18(22)16-11-14(19)5-7-17(16)25-3/h4-7,10-11,21H,8-9H2,1-3H3,(H,20,22).
What are the key properties of 5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide?
5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide has a molecular weight of 396.90 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 108572214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).