N-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide

C12H17ClN2O3S — CID 126801854

IUPACN-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-2-10-3-4-11(9-12(10)13)14-19(16,17)15-5-7-18-8-6-15/h3-4,9,14H,2,5-8H2,1H3
InChIKeyZPCOYBWEJZVFHC-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.89
Rot. Bonds4

About N-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide

N-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide (PubChem CID 126801854) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is N-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide
PubChem CID126801854
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC NameN-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-2-10-3-4-11(9-12(10)13)14-19(16,17)15-5-7-18-8-6-15/h3-4,9,14H,2,5-8H2,1H3
InChIKeyZPCOYBWEJZVFHC-UHFFFAOYSA-N
XLogP1.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine
CID 110664361
N-(3-chloro-4-ethylphenyl)oxan-4-amine
CID 118362486
N-(3-methylphenyl)morpholine-4-sulfonamide
CID 110706005
N-[4-(2-chloroethyl)phenyl]morpholine-4-sulfonamide
CID 65031107
N-(4-fluorophenyl)morpholine-4-sulfonamide
CID 2978606
N-(4-hydroxyphenyl)morpholine-4-sulfonamide
CID 21238314
2-[4-(morpholin-4-ylsulfonylamino)phenyl]ethanethioamide
CID 62303922
N-[4-(2-bromoethyl)phenyl]morpholine-4-sulfonamide
CID 114296429
N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
CID 43551097
N-(4-cyanophenyl)morpholine-4-sulfonamide
CID 28785040
N-(4-piperidin-1-ylphenyl)morpholine-4-sulfonamide
CID 110706046
N-(4-chloro-2-methylphenyl)morpholine-4-sulfonamide
CID 110706024

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide?
The IUPAC name of N-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide (CID 126801854) is N-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide is CCc1ccc(NS(=O)(=O)N2CCOCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide?
The InChIKey is ZPCOYBWEJZVFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-2-10-3-4-11(9-12(10)13)14-19(16,17)15-5-7-18-8-6-15/h3-4,9,14H,2,5-8H2,1H3.
What are the key properties of N-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide?
N-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide has a molecular weight of 304.80 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide is sourced from PubChem (CID 126801854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).