1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide

C10H14ClNO3S — CID 102907633

IUPAC1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide
SMILESCOCCc1ccccc1NS(=O)(=O)CCl
InChIInChI=1S/C10H14ClNO3S/c1-15-7-6-9-4-2-3-5-10(9)12-16(13,14)8-11/h2-5,12H,6-8H2,1H3
InChIKeyDTBLIKTXRQLIMJ-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.81
Rot. Bonds6

About 1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide

1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide (PubChem CID 102907633) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide
PubChem CID102907633
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide
SMILESCOCCc1ccccc1NS(=O)(=O)CCl
InChIInChI=1S/C10H14ClNO3S/c1-15-7-6-9-4-2-3-5-10(9)12-16(13,14)8-11/h2-5,12H,6-8H2,1H3
InChIKeyDTBLIKTXRQLIMJ-UHFFFAOYSA-N
XLogP1.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.81
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

1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide
CID 63664132
1-cyano-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide
CID 102906168
N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
CID 106087001
1-chloro-N-[2-[(dimethylamino)methyl]phenyl]methanesulfonamide
CID 63665572
4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide
CID 102846903
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene
CID 102904867
6-amino-N-[2-(2-methoxyethyl)phenyl]pyridine-3-sulfonamide
CID 102903283
N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 102846902
2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
2-(2-methoxyethyl)benzenesulfonyl chloride
CID 102853291
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
1-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]methanesulfonamide
CID 63666626

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide (CID 102907633) is 1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide is COCCc1ccccc1NS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide?
The InChIKey is DTBLIKTXRQLIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-15-7-6-9-4-2-3-5-10(9)12-16(13,14)8-11/h2-5,12H,6-8H2,1H3.
What are the key properties of 1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide?
1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide has a molecular weight of 263.75 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 102907633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).