3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide

C10H13ClN2O3S — CID 55110486

IUPAC3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide
SMILESCC(CCl)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C10H13ClN2O3S/c1-7(6-11)10(14)13-8-3-2-4-9(5-8)17(12,15)16/h2-5,7H,6H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyTVITYSWUFNEVTK-UHFFFAOYSA-N
MW276.75 g/mol
LogP1.15
Rot. Bonds4

About 3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide

3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide (PubChem CID 55110486) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide
PubChem CID55110486
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC Name3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide
SMILESCC(CCl)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C10H13ClN2O3S/c1-7(6-11)10(14)13-8-3-2-4-9(5-8)17(12,15)16/h2-5,7H,6H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyTVITYSWUFNEVTK-UHFFFAOYSA-N
XLogP1.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide
CID 62726620
N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide
CID 55110387
N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide
CID 62728455
3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 62727205
(2R)-2-pyrrolidin-1-ium-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 9274940
(2S)-2-pyrrolidin-1-ium-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 9274937
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
(2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide
CID 107143839
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate
CID 55416915
(2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide
CID 41074647
(2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 41023511
(2R)-2-amino-4-methylsulfanyl-N-(3-sulfamoylphenyl)butanamide
CID 104906786

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide (CID 55110486) is 3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide is CC(CCl)C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is TVITYSWUFNEVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-7(6-11)10(14)13-8-3-2-4-9(5-8)17(12,15)16/h2-5,7H,6H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of 3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide?
3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 276.75 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 55110486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).