4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide

C18H22ClN3O3S — CID 112981476

IUPAC4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCCN2CCOCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O3S/c19-15-1-7-18(8-2-15)26(23,24)21-17-5-3-16(4-6-17)20-9-10-22-11-13-25-14-12-22/h1-8,20-21H,9-14H2
InChIKeyZOCUECOUIFWBGC-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.88
Rot. Bonds7

About 4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide

4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide (PubChem CID 112981476) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide
PubChem CID112981476
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCCN2CCOCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O3S/c19-15-1-7-18(8-2-15)26(23,24)21-17-5-3-16(4-6-17)20-9-10-22-11-13-25-14-12-22/h1-8,20-21H,9-14H2
InChIKeyZOCUECOUIFWBGC-UHFFFAOYSA-N
XLogP2.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
3-methyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide
CID 112981487
N,N-dimethyl-4-(2-morpholin-4-ylethylamino)benzenesulfonamide
CID 43453904
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]benzenesulfonamide
CID 113025678
2-(4-chlorophenyl)-4-(2-morpholin-4-ylethylamino)benzenesulfonamide
CID 70002142
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764
N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide
CID 112980277
4-chloro-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985139
2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 1095343
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 28579825
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide (CID 112981476) is 4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(NCCN2CCOCC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide?
The InChIKey is ZOCUECOUIFWBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c19-15-1-7-18(8-2-15)26(23,24)21-17-5-3-16(4-6-17)20-9-10-22-11-13-25-14-12-22/h1-8,20-21H,9-14H2.
What are the key properties of 4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide?
4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide has a molecular weight of 395.91 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112981476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).