N-(4-chloro-2-methylphenyl)-2-(2-methoxyethoxy)ethanesulfonamide

C12H18ClNO4S — CID 110420975

IUPACN-(4-chloro-2-methylphenyl)-2-(2-methoxyethoxy)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C12H18ClNO4S/c1-10-9-11(13)3-4-12(10)14-19(15,16)8-7-18-6-5-17-2/h3-4,9,14H,5-8H2,1-2H3
InChIKeyMHOOFNXLJQAAKZ-UHFFFAOYSA-N
MW307.80 g/mol
LogP2.05
Rot. Bonds8

About N-(4-chloro-2-methylphenyl)-2-(2-methoxyethoxy)ethanesulfonamide

N-(4-chloro-2-methylphenyl)-2-(2-methoxyethoxy)ethanesulfonamide (PubChem CID 110420975) has the molecular formula C12H18ClNO4S and a molecular weight of 307.80 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(2-methoxyethoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(2-methoxyethoxy)ethanesulfonamide
PubChem CID110420975
Molecular FormulaC12H18ClNO4S
Molecular Weight307.80 g/mol
Exact Mass307.06
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(2-methoxyethoxy)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C12H18ClNO4S/c1-10-9-11(13)3-4-12(10)14-19(15,16)8-7-18-6-5-17-2/h3-4,9,14H,5-8H2,1-2H3
InChIKeyMHOOFNXLJQAAKZ-UHFFFAOYSA-N
XLogP2.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(2-ethoxyethylsulfonylamino)benzoic acid
CID 55174298
N-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide
CID 113438985
N-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide
CID 71847210
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-methoxypropane-1-sulfonamide
CID 81280680
3-[4-(3-methoxypropylsulfonylamino)-3-methylphenyl]prop-2-enoic acid
CID 76994207
2-(2-methoxyethoxy)-N-quinolin-8-ylethanesulfonamide
CID 110426620
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid
CID 55010075
N-(4-chloro-2-methylphenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137729
5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide
CID 55948329
2-(2-methoxyethoxy)-N-(3-methyl-2-oxo-1H-quinolin-6-yl)ethanesulfonamide
CID 127265969
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-methoxyethoxy)ethanesulfonamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-methoxyethoxy)ethanesulfonamide (CID 110420975) is N-(4-chloro-2-methylphenyl)-2-(2-methoxyethoxy)ethanesulfonamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(2-methoxyethoxy)ethanesulfonamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(2-methoxyethoxy)ethanesulfonamide is COCCOCCS(=O)(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(2-methoxyethoxy)ethanesulfonamide?
The InChIKey is MHOOFNXLJQAAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO4S/c1-10-9-11(13)3-4-12(10)14-19(15,16)8-7-18-6-5-17-2/h3-4,9,14H,5-8H2,1-2H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(2-methoxyethoxy)ethanesulfonamide?
N-(4-chloro-2-methylphenyl)-2-(2-methoxyethoxy)ethanesulfonamide has a molecular weight of 307.80 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(2-methoxyethoxy)ethanesulfonamide is sourced from PubChem (CID 110420975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).