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

C16H18ClNO4S — CID 1254752

IUPAC3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C16H18ClNO4S/c1-21-13-5-3-12(4-6-13)9-10-18-23(19,20)14-7-8-16(22-2)15(17)11-14/h3-8,11,18H,9-10H2,1-2H3
InChIKeyKXJAUWYXDDCQEY-UHFFFAOYSA-N
MW355.84 g/mol
LogP2.88
Rot. Bonds7

About 3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide

3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 1254752) has the molecular formula C16H18ClNO4S and a molecular weight of 355.84 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID1254752
Molecular FormulaC16H18ClNO4S
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC Name3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C16H18ClNO4S/c1-21-13-5-3-12(4-6-13)9-10-18-23(19,20)14-7-8-16(22-2)15(17)11-14/h3-8,11,18H,9-10H2,1-2H3
InChIKeyKXJAUWYXDDCQEY-UHFFFAOYSA-N
XLogP2.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 37478572
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126082
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]-4-methoxybenzenesulfonamide
CID 16890872
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
4-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110316621
4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 55915922
3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 110601522
N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 25039968
3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3731467
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998755
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 17435586

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide (CID 1254752) is 3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide is COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of 3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is KXJAUWYXDDCQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4S/c1-21-13-5-3-12(4-6-13)9-10-18-23(19,20)14-7-8-16(22-2)15(17)11-14/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide?
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 355.84 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 1254752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).