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

C17H19ClN2O3S — CID 108571401

IUPAC3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)c2cccc(Cl)c2)cc1C
InChIInChI=1S/C17H19ClN2O3S/c1-12-6-7-16(10-13(12)2)24(22,23)20-9-8-19-17(21)14-4-3-5-15(18)11-14/h3-7,10-11,20H,8-9H2,1-2H3,(H,19,21)
InChIKeyBDBWIVUEMDTHNL-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.67
Rot. Bonds6

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

3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide (PubChem CID 108571401) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide
PubChem CID108571401
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)c2cccc(Cl)c2)cc1C
InChIInChI=1S/C17H19ClN2O3S/c1-12-6-7-16(10-13(12)2)24(22,23)20-9-8-19-17(21)14-4-3-5-15(18)11-14/h3-7,10-11,20H,8-9H2,1-2H3,(H,19,21)
InChIKeyBDBWIVUEMDTHNL-UHFFFAOYSA-N
XLogP2.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide
CID 39698057
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide
CID 32999320
N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 108571279
5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide
CID 108572214
3-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]benzamide
CID 108571403
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 4940243
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108573390
3-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 108573729
N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide
CID 7918365
2-(2,4-dichlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572836
(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
CID 119279126

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide (CID 108571401) is 3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide is Cc1ccc(S(=O)(=O)NCCNC(=O)c2cccc(Cl)c2)cc1C.
What is the InChIKey of 3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide?
The InChIKey is BDBWIVUEMDTHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12-6-7-16(10-13(12)2)24(22,23)20-9-8-19-17(21)14-4-3-5-15(18)11-14/h3-7,10-11,20H,8-9H2,1-2H3,(H,19,21).
What are the key properties of 3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide?
3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide has a molecular weight of 366.87 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 108571401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).