N-(3-chloro-4-morpholin-4-ylphenyl)-4-methylsulfanylbenzenesulfonamide

C17H19ClN2O3S2 — CID 1252109

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O3S2/c1-24-14-3-5-15(6-4-14)25(21,22)19-13-2-7-17(16(18)12-13)20-8-10-23-11-9-20/h2-7,12,19H,8-11H2,1H3
InChIKeyKEVVEIAHLIYEKQ-UHFFFAOYSA-N
MW398.94 g/mol
LogP3.70
Rot. Bonds5

About N-(3-chloro-4-morpholin-4-ylphenyl)-4-methylsulfanylbenzenesulfonamide

N-(3-chloro-4-morpholin-4-ylphenyl)-4-methylsulfanylbenzenesulfonamide (PubChem CID 1252109) has the molecular formula C17H19ClN2O3S2 and a molecular weight of 398.94 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-4-methylsulfanylbenzenesulfonamide
PubChem CID1252109
Molecular FormulaC17H19ClN2O3S2
Molecular Weight398.94 g/mol
Exact Mass398.05
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O3S2/c1-24-14-3-5-15(6-4-14)25(21,22)19-13-2-7-17(16(18)12-13)20-8-10-23-11-9-20/h2-7,12,19H,8-11H2,1H3
InChIKeyKEVVEIAHLIYEKQ-UHFFFAOYSA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2-chlorophenyl)-2-(morpholin-4-yl)benzene-1-sulfonamide
CID 5010173
5-amino-N-(2,5-dichlorophenyl)-2-(morpholin-4-yl)benzene-1-sulfonamide
CID 3870175
N-[3-chloro-4-(morpholin-4-yl)phenyl]-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 2995805
2,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3750785
4-chloro-N-(4-morpholinophenyl)benzenesulfonamide
CID 1365326
2-(benzenesulfonyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide
CID 5194086
N-(3-chloro-2-morpholin-4-ylphenyl)-3,4-difluorobenzenesulfonamide
CID 17490003
N-(5-chloro-2-morpholin-4-ylphenyl)-4-(difluoromethylsulfonyl)benzenesulfonamide
CID 38889690
N-(3-chloro-2-morpholin-4-ylphenyl)-4-(difluoromethylsulfonyl)benzenesulfonamide
CID 38891510
N-(3-chloro-4-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 2806964
2-(4-Chlorophenyl)sulfonyl-4-morpholin-4-ylaniline
CID 164676720
3-chloro-4-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3523317

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-4-methylsulfanylbenzenesulfonamide (CID 1252109) is N-(3-chloro-4-morpholin-4-ylphenyl)-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-4-methylsulfanylbenzenesulfonamide?
The InChIKey is KEVVEIAHLIYEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S2/c1-24-14-3-5-15(6-4-14)25(21,22)19-13-2-7-17(16(18)12-13)20-8-10-23-11-9-20/h2-7,12,19H,8-11H2,1H3.
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-4-methylsulfanylbenzenesulfonamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-4-methylsulfanylbenzenesulfonamide has a molecular weight of 398.94 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 1252109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).