5-chloro-2-(methanesulfonamido)-N-[2-(methylamino)propyl]benzamide

C12H18ClN3O3S — CID 120831052

IUPAC5-chloro-2-(methanesulfonamido)-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1cc(Cl)ccc1NS(C)(=O)=O
InChIInChI=1S/C12H18ClN3O3S/c1-8(14-2)7-15-12(17)10-6-9(13)4-5-11(10)16-20(3,18)19/h4-6,8,14,16H,7H2,1-3H3,(H,15,17)
InChIKeyFNAMXPDEDXGPNQ-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.05
Rot. Bonds6

About 5-chloro-2-(methanesulfonamido)-N-[2-(methylamino)propyl]benzamide

5-chloro-2-(methanesulfonamido)-N-[2-(methylamino)propyl]benzamide (PubChem CID 120831052) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 5-chloro-2-(methanesulfonamido)-N-[2-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-(methanesulfonamido)-N-[2-(methylamino)propyl]benzamide
PubChem CID120831052
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name5-chloro-2-(methanesulfonamido)-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1cc(Cl)ccc1NS(C)(=O)=O
InChIInChI=1S/C12H18ClN3O3S/c1-8(14-2)7-15-12(17)10-6-9(13)4-5-11(10)16-20(3,18)19/h4-6,8,14,16H,7H2,1-3H3,(H,15,17)
InChIKeyFNAMXPDEDXGPNQ-UHFFFAOYSA-N
XLogP1.05
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide
CID 49194436
N-(2-acetyl-4-chlorophenyl)methanesulfonamide
CID 145014745
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride
CID 120651308
methyl 5-chloro-2-(methanesulfonamido)benzoate
CID 18350480
5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55042884
5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide
CID 120827060
3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylpropanoic acid
CID 119237314
3-[[5-chloro-2-[(3-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylpropanoic acid
CID 173373112
1-(4-chlorophenyl)-2,5-dimethyl-N-[2-(methylamino)propyl]pyrrole-3-carboxamide
CID 120826815
5-chloro-N-(2-ethoxypropyl)-2-(methylamino)benzamide
CID 113478170
5-fluoro-2-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512684
2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654149

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methanesulfonamido)-N-[2-(methylamino)propyl]benzamide?
The IUPAC name of 5-chloro-2-(methanesulfonamido)-N-[2-(methylamino)propyl]benzamide (CID 120831052) is 5-chloro-2-(methanesulfonamido)-N-[2-(methylamino)propyl]benzamide.
What is the SMILES notation for 5-chloro-2-(methanesulfonamido)-N-[2-(methylamino)propyl]benzamide?
The canonical SMILES for 5-chloro-2-(methanesulfonamido)-N-[2-(methylamino)propyl]benzamide is CNC(C)CNC(=O)c1cc(Cl)ccc1NS(C)(=O)=O.
What is the InChIKey of 5-chloro-2-(methanesulfonamido)-N-[2-(methylamino)propyl]benzamide?
The InChIKey is FNAMXPDEDXGPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-8(14-2)7-15-12(17)10-6-9(13)4-5-11(10)16-20(3,18)19/h4-6,8,14,16H,7H2,1-3H3,(H,15,17).
What are the key properties of 5-chloro-2-(methanesulfonamido)-N-[2-(methylamino)propyl]benzamide?
5-chloro-2-(methanesulfonamido)-N-[2-(methylamino)propyl]benzamide has a molecular weight of 319.81 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methanesulfonamido)-N-[2-(methylamino)propyl]benzamide is sourced from PubChem (CID 120831052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).