3-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]propane-1-sulfonamide

C15H23ClN2O3S — CID 24816324

IUPAC3-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]propane-1-sulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)CCCCl)cc2)C1
InChIInChI=1S/C15H23ClN2O3S/c1-2-18-9-10-21-15(12-18)13-4-6-14(7-5-13)17-22(19,20)11-3-8-16/h4-7,15,17H,2-3,8-12H2,1H3
InChIKeyMLZCOHOJTRGSKJ-UHFFFAOYSA-N
MW346.88 g/mol
LogP2.45
Rot. Bonds7

About 3-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]propane-1-sulfonamide

3-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]propane-1-sulfonamide (PubChem CID 24816324) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is 3-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]propane-1-sulfonamide
PubChem CID24816324
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC Name3-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]propane-1-sulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)CCCCl)cc2)C1
InChIInChI=1S/C15H23ClN2O3S/c1-2-18-9-10-21-15(12-18)13-4-6-14(7-5-13)17-22(19,20)11-3-8-16/h4-7,15,17H,2-3,8-12H2,1H3
InChIKeyMLZCOHOJTRGSKJ-UHFFFAOYSA-N
XLogP2.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.45
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

4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
CID 24816093
4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
CID 24816326
2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
CID 24816169
N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 24815911
4-[(2S)-4-ethylmorpholin-2-yl]phenol
CID 71422679
N-[4-(4-ethylmorpholin-2-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 24816089
N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 24815719
2-[4-(4-chlorophenoxy)phenyl]-4-ethylmorpholine
CID 142654768
3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide
CID 54877695
(2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine
CID 94200141
3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide
CID 43654481
N-(4-butan-2-ylphenyl)-3-chloropropane-1-sulfonamide
CID 54877159

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]propane-1-sulfonamide (CID 24816324) is 3-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]propane-1-sulfonamide is CCN1CCOC(c2ccc(NS(=O)(=O)CCCCl)cc2)C1.
What is the InChIKey of 3-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]propane-1-sulfonamide?
The InChIKey is MLZCOHOJTRGSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-2-18-9-10-21-15(12-18)13-4-6-14(7-5-13)17-22(19,20)11-3-8-16/h4-7,15,17H,2-3,8-12H2,1H3.
What are the key properties of 3-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]propane-1-sulfonamide?
3-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]propane-1-sulfonamide has a molecular weight of 346.88 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 24816324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).