4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide

C18H21ClN2O3S — CID 24816093

IUPAC4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C18H21ClN2O3S/c1-2-21-11-12-24-18(13-21)14-3-7-16(8-4-14)20-25(22,23)17-9-5-15(19)6-10-17/h3-10,18,20H,2,11-13H2,1H3
InChIKeyLTIXELDEHIBRNR-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.53
Rot. Bonds5

About 4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide

4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide (PubChem CID 24816093) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
PubChem CID24816093
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C18H21ClN2O3S/c1-2-21-11-12-24-18(13-21)14-3-7-16(8-4-14)20-25(22,23)17-9-5-15(19)6-10-17/h3-10,18,20H,2,11-13H2,1H3
InChIKeyLTIXELDEHIBRNR-UHFFFAOYSA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
CID 24816326
N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 24815911
N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 24815719
2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
CID 24816169
3-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]propane-1-sulfonamide
CID 24816324
2-[4-(4-chlorophenoxy)phenyl]-4-ethylmorpholine
CID 142654768
N-[4-(4-ethylmorpholin-2-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 24816089
4-[(2S)-4-ethylmorpholin-2-yl]phenol
CID 71422679
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(4-methylphenyl)acetamide
CID 60516267
4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide
CID 112981476
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial
CID 87766572

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide (CID 24816093) is 4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide is CCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of 4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is LTIXELDEHIBRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-2-21-11-12-24-18(13-21)14-3-7-16(8-4-14)20-25(22,23)17-9-5-15(19)6-10-17/h3-10,18,20H,2,11-13H2,1H3.
What are the key properties of 4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide?
4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 380.90 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24816093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).