2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide

C14H21ClN2O3S — CID 107650766

IUPAC2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide
SMILESO=S(=O)(CCCl)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C14H21ClN2O3S/c15-5-10-21(18,19)16-11-13-3-1-2-4-14(13)12-17-6-8-20-9-7-17/h1-4,16H,5-12H2
InChIKeyUDMOREXUCXTODB-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.18
Rot. Bonds7

About 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide

2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide (PubChem CID 107650766) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide
PubChem CID107650766
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide
SMILESO=S(=O)(CCCl)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C14H21ClN2O3S/c15-5-10-21(18,19)16-11-13-3-1-2-4-14(13)12-17-6-8-20-9-7-17/h1-4,16H,5-12H2
InChIKeyUDMOREXUCXTODB-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 9190635
4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 31534702
2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 9190612
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62439214
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9190592
N-(2-chloroethyl)-4-[2-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 162435337
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 18197798
4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
CID 13041711
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 43346970
2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 27665440
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
CID 131887032
CID 131887032

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide (CID 107650766) is 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide is O=S(=O)(CCCl)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide?
The InChIKey is UDMOREXUCXTODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c15-5-10-21(18,19)16-11-13-3-1-2-4-14(13)12-17-6-8-20-9-7-17/h1-4,16H,5-12H2.
What are the key properties of 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide?
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide has a molecular weight of 332.85 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide is sourced from PubChem (CID 107650766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).