N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide

C21H24Cl2N2O4S — CID 60583878

IUPACN-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCCCc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H24Cl2N2O4S/c1-15-4-6-17(14-20(15)30(27,28)25-9-11-29-12-10-25)21(26)24-8-2-3-16-5-7-18(22)19(23)13-16/h4-7,13-14H,2-3,8-12H2,1H3,(H,24,26)
InChIKeyDQRNCJJQGXYOLX-UHFFFAOYSA-N
MW471.41 g/mol
LogP3.69
Rot. Bonds7

About N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide

N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 60583878) has the molecular formula C21H24Cl2N2O4S and a molecular weight of 471.41 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID60583878
Molecular FormulaC21H24Cl2N2O4S
Molecular Weight471.41 g/mol
Exact Mass470.08
IUPAC NameN-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCCCc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H24Cl2N2O4S/c1-15-4-6-17(14-20(15)30(27,28)25-9-11-29-12-10-25)21(26)24-8-2-3-16-5-7-18(22)19(23)13-16/h4-7,13-14H,2-3,8-12H2,1H3,(H,24,26)
InChIKeyDQRNCJJQGXYOLX-UHFFFAOYSA-N
XLogP3.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119503940
4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)benzamide
CID 99968757
4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 9472673
N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2161742
N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26795823
4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3668064
N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 26639213
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 27173584
N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26583598
4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 7150357
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
CID 2337108

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 60583878) is N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(C(=O)NCCCc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DQRNCJJQGXYOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O4S/c1-15-4-6-17(14-20(15)30(27,28)25-9-11-29-12-10-25)21(26)24-8-2-3-16-5-7-18(22)19(23)13-16/h4-7,13-14H,2-3,8-12H2,1H3,(H,24,26).
What are the key properties of N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 471.41 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 60583878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).