4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide

C15H16ClNO3S — CID 18083064

IUPAC4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1C(C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO3S/c1-11(14-5-3-4-6-15(14)20-2)17-21(18,19)13-9-7-12(16)8-10-13/h3-11,17H,1-2H3
InChIKeyCXOUQIISYHUYHK-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.39
Rot. Bonds5

About 4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide

4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 18083064) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID18083064
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1C(C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO3S/c1-11(14-5-3-4-6-15(14)20-2)17-21(18,19)13-9-7-12(16)8-10-13/h3-11,17H,1-2H3
InChIKeyCXOUQIISYHUYHK-UHFFFAOYSA-N
XLogP3.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 7510094
4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 66978868
N-[(1S)-1-(2-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 2496333
N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 4828145
N-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 122208016
3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133219535
N-[(1R)-1-(2-methoxyphenyl)ethyl]methanesulfonamide
CID 28560460
methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate
CID 100763986
N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 28560659
N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 31391944
N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 42999040

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide (CID 18083064) is 4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide is COc1ccccc1C(C)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is CXOUQIISYHUYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-11(14-5-3-4-6-15(14)20-2)17-21(18,19)13-9-7-12(16)8-10-13/h3-11,17H,1-2H3.
What are the key properties of 4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide?
4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 18083064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).