4-chloro-N-[2-[3-(2-oxoethoxy)phenyl]ethyl]benzenesulfonamide

C16H16ClNO4S — CID 173342920

IUPAC4-chloro-N-[2-[3-(2-oxoethoxy)phenyl]ethyl]benzenesulfonamide
SMILESO=CCOc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO4S/c17-14-4-6-16(7-5-14)23(20,21)18-9-8-13-2-1-3-15(12-13)22-11-10-19/h1-7,10,12,18H,8-9,11H2
InChIKeyOMMDHJBQMWNUCA-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.44
Rot. Bonds8

About 4-chloro-N-[2-[3-(2-oxoethoxy)phenyl]ethyl]benzenesulfonamide

4-chloro-N-[2-[3-(2-oxoethoxy)phenyl]ethyl]benzenesulfonamide (PubChem CID 173342920) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is 4-chloro-N-[2-[3-(2-oxoethoxy)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[3-(2-oxoethoxy)phenyl]ethyl]benzenesulfonamide
PubChem CID173342920
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name4-chloro-N-[2-[3-(2-oxoethoxy)phenyl]ethyl]benzenesulfonamide
SMILESO=CCOc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO4S/c17-14-4-6-16(7-5-14)23(20,21)18-9-8-13-2-1-3-15(12-13)22-11-10-19/h1-7,10,12,18H,8-9,11H2
InChIKeyOMMDHJBQMWNUCA-UHFFFAOYSA-N
XLogP2.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[2-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]acetyl]amino]-3-phenylpropanoic acid
CID 67942585
3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3731467
N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 35309914
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 110295030
2-[3-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenoxy]acetic acid
CID 67938134
acetonitrile;4-chloro-N-(2-phenylethyl)benzenesulfonamide;hydrate
CID 174293454
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
4-chloro-N-[2-[4-[2-(ethylamino)ethoxy]phenyl]ethyl]benzenesulfonamide
CID 19388056
2-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-2-sulfinylacetic acid
CID 88510745
4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 70357784
4-chloro-N-[2-(3-propyl-5-pyridin-3-yloxyphenyl)ethyl]benzenesulfonamide
CID 57190402

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[3-(2-oxoethoxy)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[3-(2-oxoethoxy)phenyl]ethyl]benzenesulfonamide (CID 173342920) is 4-chloro-N-[2-[3-(2-oxoethoxy)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[3-(2-oxoethoxy)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[3-(2-oxoethoxy)phenyl]ethyl]benzenesulfonamide is O=CCOc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[2-[3-(2-oxoethoxy)phenyl]ethyl]benzenesulfonamide?
The InChIKey is OMMDHJBQMWNUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c17-14-4-6-16(7-5-14)23(20,21)18-9-8-13-2-1-3-15(12-13)22-11-10-19/h1-7,10,12,18H,8-9,11H2.
What are the key properties of 4-chloro-N-[2-[3-(2-oxoethoxy)phenyl]ethyl]benzenesulfonamide?
4-chloro-N-[2-[3-(2-oxoethoxy)phenyl]ethyl]benzenesulfonamide has a molecular weight of 353.83 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[3-(2-oxoethoxy)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 173342920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).