N-(2-chloroethyl)-4-[2-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide

C19H23ClN2O3S — CID 162435337

IUPACN-(2-chloroethyl)-4-[2-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(NCCCl)c1ccc(-c2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C19H23ClN2O3S/c20-9-10-21-26(23,24)18-7-5-16(6-8-18)19-4-2-1-3-17(19)15-22-11-13-25-14-12-22/h1-8,21H,9-15H2
InChIKeyBYHXPSKHFCVLMV-UHFFFAOYSA-N
MW394.92 g/mol
LogP2.70
Rot. Bonds7

About N-(2-chloroethyl)-4-[2-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide

N-(2-chloroethyl)-4-[2-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 162435337) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-(2-chloroethyl)-4-[2-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-4-[2-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
PubChem CID162435337
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-(2-chloroethyl)-4-[2-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(NCCCl)c1ccc(-c2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C19H23ClN2O3S/c20-9-10-21-26(23,24)18-7-5-16(6-8-18)19-4-2-1-3-17(19)15-22-11-13-25-14-12-22/h1-8,21H,9-15H2
InChIKeyBYHXPSKHFCVLMV-UHFFFAOYSA-N
XLogP2.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 52.70
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-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 31534702
N-(2-chloroethyl)-4-phenylbenzenesulfonamide
CID 162435603
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide
CID 107650766
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9190592
N-[(1R)-1-[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]ethyl]acetamide
CID 97455580
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 108781141
N-(2-chloroethyl)-4-(3,6-dihydro-2H-pyran-4-yl)benzenesulfonamide
CID 162435558
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 9190635
4-[[2-[4-[[3-(2-fluoroethyl)imidazolidin-1-yl]methyl]phenyl]phenyl]methyl]morpholine
CID 91325196
N-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(morpholin-4-ylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzenesulfonamide
CID 4601625
N-(2-chloroethyl)-4-(furan-3-yl)benzenesulfonamide
CID 162435301
4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348296

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-4-[2-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(2-chloroethyl)-4-[2-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide (CID 162435337) is N-(2-chloroethyl)-4-[2-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-4-[2-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-4-[2-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide is O=S(=O)(NCCCl)c1ccc(-c2ccccc2CN2CCOCC2)cc1.
What is the InChIKey of N-(2-chloroethyl)-4-[2-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is BYHXPSKHFCVLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c20-9-10-21-26(23,24)18-7-5-16(6-8-18)19-4-2-1-3-17(19)15-22-11-13-25-14-12-22/h1-8,21H,9-15H2.
What are the key properties of N-(2-chloroethyl)-4-[2-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide?
N-(2-chloroethyl)-4-[2-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 394.92 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-4-[2-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 162435337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).