2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide

C12H17ClN2O4S — CID 53283791

IUPAC2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-19-7-3-6-14-12(16)10-8-9(4-5-11(10)13)15-20(2,17)18/h4-5,8,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyBLWBXQDLBZEXQT-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.48
Rot. Bonds7

About 2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide

2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide (PubChem CID 53283791) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide
PubChem CID53283791
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-19-7-3-6-14-12(16)10-8-9(4-5-11(10)13)15-20(2,17)18/h4-5,8,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyBLWBXQDLBZEXQT-UHFFFAOYSA-N
XLogP1.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.48
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-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 38003506
2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide
CID 92686029
2-chloro-N-[3-(4-fluorophenyl)propyl]-5-(methanesulfonamido)benzamide
CID 28635620
2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide
CID 43909164
2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide
CID 133239711
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 3629479
2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100568601
2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide
CID 60636009
N-(4-acetamidophenyl)-2-chloro-5-(methanesulfonamido)benzamide
CID 30397176
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896
2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide
CID 43908500
2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 55716614

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide?
The IUPAC name of 2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide (CID 53283791) is 2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide?
The InChIKey is BLWBXQDLBZEXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-19-7-3-6-14-12(16)10-8-9(4-5-11(10)13)15-20(2,17)18/h4-5,8,15H,3,6-7H2,1-2H3,(H,14,16).
What are the key properties of 2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide?
2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide has a molecular weight of 320.80 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 53283791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).