4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide

C11H14ClNO3S — CID 54931961

IUPAC4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide
SMILESCS(=O)(=O)CCNC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-17(15,16)7-6-13-11(14)10-4-2-9(8-12)3-5-10/h2-5H,6-8H2,1H3,(H,13,14)
InChIKeyLLEOWPMFWVCPQR-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.20
Rot. Bonds5

About 4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide

4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide (PubChem CID 54931961) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide
PubChem CID54931961
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide
SMILESCS(=O)(=O)CCNC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-17(15,16)7-6-13-11(14)10-4-2-9(8-12)3-5-10/h2-5H,6-8H2,1H3,(H,13,14)
InChIKeyLLEOWPMFWVCPQR-UHFFFAOYSA-N
XLogP1.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-[[4-(chloromethyl)benzoyl]amino]ethanesulfonate
CID 20688335
N-(2-methylsulfonylethyl)-4-sulfanylbenzamide
CID 107023639
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
3-(chloromethyl)-N-(3-methylsulfonylpropyl)benzamide
CID 54904905
4-iodo-N-(3-methylsulfonylpropyl)benzamide
CID 47261727
4-fluoro-N-(3-methylsulfonylpropyl)benzamide
CID 60859209
N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60545524
3,5-dichloro-N-(2-methylsulfonylethyl)benzamide
CID 47230479
4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54932022
2-[(4-ethylbenzoyl)amino]ethanesulfonic acid
CID 90066946
N-(3-acetamidopropyl)-4-(methylsulfonylmethyl)benzamide
CID 38449785
4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104759817

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide (CID 54931961) is 4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide is CS(=O)(=O)CCNC(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is LLEOWPMFWVCPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-17(15,16)7-6-13-11(14)10-4-2-9(8-12)3-5-10/h2-5H,6-8H2,1H3,(H,13,14).
What are the key properties of 4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide?
4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 275.76 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 54931961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).