2-(4-chlorophenyl)-4-(2-morpholin-4-ylethylamino)benzenesulfonamide

C18H22ClN3O3S — CID 70002142

IUPAC2-(4-chlorophenyl)-4-(2-morpholin-4-ylethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCCN2CCOCC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O3S/c19-15-3-1-14(2-4-15)17-13-16(5-6-18(17)26(20,23)24)21-7-8-22-9-11-25-12-10-22/h1-6,13,21H,7-12H2,(H2,20,23,24)
InChIKeyQVQKWXOIDXSLGU-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.40
Rot. Bonds6

About 2-(4-chlorophenyl)-4-(2-morpholin-4-ylethylamino)benzenesulfonamide

2-(4-chlorophenyl)-4-(2-morpholin-4-ylethylamino)benzenesulfonamide (PubChem CID 70002142) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(2-morpholin-4-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(2-morpholin-4-ylethylamino)benzenesulfonamide
PubChem CID70002142
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name2-(4-chlorophenyl)-4-(2-morpholin-4-ylethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCCN2CCOCC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O3S/c19-15-3-1-14(2-4-15)17-13-16(5-6-18(17)26(20,23)24)21-7-8-22-9-11-25-12-10-22/h1-6,13,21H,7-12H2,(H2,20,23,24)
InChIKeyQVQKWXOIDXSLGU-UHFFFAOYSA-N
XLogP2.40
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide
CID 112981476
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 65437336
3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28583324
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 60679405
3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 39420305
2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 1095343
3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016616
5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 171989086
4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 156564066
2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3801591

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(2-morpholin-4-ylethylamino)benzenesulfonamide?
The IUPAC name of 2-(4-chlorophenyl)-4-(2-morpholin-4-ylethylamino)benzenesulfonamide (CID 70002142) is 2-(4-chlorophenyl)-4-(2-morpholin-4-ylethylamino)benzenesulfonamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(2-morpholin-4-ylethylamino)benzenesulfonamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-(2-morpholin-4-ylethylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(NCCN2CCOCC2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(2-morpholin-4-ylethylamino)benzenesulfonamide?
The InChIKey is QVQKWXOIDXSLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c19-15-3-1-14(2-4-15)17-13-16(5-6-18(17)26(20,23)24)21-7-8-22-9-11-25-12-10-22/h1-6,13,21H,7-12H2,(H2,20,23,24).
What are the key properties of 2-(4-chlorophenyl)-4-(2-morpholin-4-ylethylamino)benzenesulfonamide?
2-(4-chlorophenyl)-4-(2-morpholin-4-ylethylamino)benzenesulfonamide has a molecular weight of 395.91 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(2-morpholin-4-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 70002142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).