3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C14H21ClN2O4S — CID 6464011

IUPAC3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1Cl
InChIInChI=1S/C14H21ClN2O4S/c1-2-21-14-4-3-12(11-13(14)15)22(18,19)16-5-6-17-7-9-20-10-8-17/h3-4,11,16H,2,5-10H2,1H3
InChIKeyMYNHWAIVUNXFSJ-UHFFFAOYSA-N
MW348.85 g/mol
LogP1.35
Rot. Bonds7

About 3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide

3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 6464011) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID6464011
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC Name3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1Cl
InChIInChI=1S/C14H21ClN2O4S/c1-2-21-14-4-3-12(11-13(14)15)22(18,19)16-5-6-17-7-9-20-10-8-17/h3-4,11,16H,2,5-10H2,1H3
InChIKeyMYNHWAIVUNXFSJ-UHFFFAOYSA-N
XLogP1.35
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764
3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 29266796
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 45373996
2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110300194
5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide
CID 64608502
3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 110758135
N-[2-methoxy-5-(2-morpholin-4-ylethylsulfamoyl)phenyl]acetamide
CID 8777848
3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
CID 110722675
3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 100744644
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide
CID 55521871
4-ethoxy-2,3-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 16644712

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 6464011) is 3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is MYNHWAIVUNXFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4S/c1-2-21-14-4-3-12(11-13(14)15)22(18,19)16-5-6-17-7-9-20-10-8-17/h3-4,11,16H,2,5-10H2,1H3.
What are the key properties of 3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 348.85 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 6464011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).