2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide

C11H15ClN2O4S — CID 38003506

IUPAC2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl
InChIInChI=1S/C11H15ClN2O4S/c1-18-6-5-13-11(15)9-4-3-8(7-10(9)12)14-19(2,16)17/h3-4,7,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyMEZGQNFPJAVHCO-UHFFFAOYSA-N
MW306.77 g/mol
LogP1.09
Rot. Bonds6

About 2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide

2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide (PubChem CID 38003506) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
PubChem CID38003506
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Name2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl
InChIInChI=1S/C11H15ClN2O4S/c1-18-6-5-13-11(15)9-4-3-8(7-10(9)12)14-19(2,16)17/h3-4,7,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyMEZGQNFPJAVHCO-UHFFFAOYSA-N
XLogP1.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 51.09
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-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide
CID 92686029
2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide
CID 53283791
2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide
CID 43908500
2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 55917738
4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119950265
2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 43885687
2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
CID 92680149
2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide
CID 133239724
4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994336
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide
CID 55878270
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
CID 92677554
N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide
CID 28635588

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide (CID 38003506) is 2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide?
The InChIKey is MEZGQNFPJAVHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c1-18-6-5-13-11(15)9-4-3-8(7-10(9)12)14-19(2,16)17/h3-4,7,14H,5-6H2,1-2H3,(H,13,15).
What are the key properties of 2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide?
2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide has a molecular weight of 306.77 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 38003506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).