4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide

C12H17ClN2O4S — CID 103549019

IUPAC4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)NCC1COCCN1
InChIInChI=1S/C12H17ClN2O4S/c1-18-11-6-9(13)2-3-12(11)20(16,17)15-7-10-8-19-5-4-14-10/h2-3,6,10,14-15H,4-5,7-8H2,1H3
InChIKeyFTEJXBMYRIVDEZ-UHFFFAOYSA-N
MW320.80 g/mol
LogP0.62
Rot. Bonds5

About 4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide

4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide (PubChem CID 103549019) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide
PubChem CID103549019
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)NCC1COCCN1
InChIInChI=1S/C12H17ClN2O4S/c1-18-11-6-9(13)2-3-12(11)20(16,17)15-7-10-8-19-5-4-14-10/h2-3,6,10,14-15H,4-5,7-8H2,1H3
InChIKeyFTEJXBMYRIVDEZ-UHFFFAOYSA-N
XLogP0.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103548886
3-[(5-chloro-2-methoxyphenyl)methyl]morpholine
CID 82293165
4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methoxybenzenesulfonamide
CID 62665519
4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 43501996
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63624523
methyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate
CID 103548901
4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084488
3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline
CID 115237844
2-methoxy-N-[[(3S)-morpholin-3-yl]methyl]aniline
CID 99962582
2,5-difluoro-4-methoxy-N-(morpholin-3-ylmethyl)aniline
CID 115237891
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide
CID 103548867

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide (CID 103549019) is 4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide is COc1cc(Cl)ccc1S(=O)(=O)NCC1COCCN1.
What is the InChIKey of 4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide?
The InChIKey is FTEJXBMYRIVDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-18-11-6-9(13)2-3-12(11)20(16,17)15-7-10-8-19-5-4-14-10/h2-3,6,10,14-15H,4-5,7-8H2,1H3.
What are the key properties of 4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide?
4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide has a molecular weight of 320.80 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 103549019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).