2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide

C19H26Cl2N2O6S — CID 154747662

IUPAC2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
SMILESO=C(NCCCOCC1CCCO1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C19H26Cl2N2O6S/c20-16-12-17(21)18(30(25,26)23-5-9-27-10-6-23)11-15(16)19(24)22-4-2-7-28-13-14-3-1-8-29-14/h11-12,14H,1-10,13H2,(H,22,24)
InChIKeyGEPTZFQJADKSNF-UHFFFAOYSA-N
MW481.40 g/mol
LogP2.33
Rot. Bonds9

About 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide

2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide (PubChem CID 154747662) has the molecular formula C19H26Cl2N2O6S and a molecular weight of 481.40 g/mol. Its IUPAC name is 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
PubChem CID154747662
Molecular FormulaC19H26Cl2N2O6S
Molecular Weight481.40 g/mol
Exact Mass480.09
IUPAC Name2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
SMILESO=C(NCCCOCC1CCCO1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C19H26Cl2N2O6S/c20-16-12-17(21)18(30(25,26)23-5-9-27-10-6-23)11-15(16)19(24)22-4-2-7-28-13-14-3-1-8-29-14/h11-12,14H,1-10,13H2,(H,22,24)
InChIKeyGEPTZFQJADKSNF-UHFFFAOYSA-N
XLogP2.33
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 1091764
2,4-dichloro-N-[4-(4-methylpiperidin-1-yl)butyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55724763
4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide
CID 81227781
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997
3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 34551600
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 30797106
3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103993790
2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 24518137
2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 18127231
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30146041
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The IUPAC name of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide (CID 154747662) is 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide is O=C(NCCCOCC1CCCO1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The InChIKey is GEPTZFQJADKSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N2O6S/c20-16-12-17(21)18(30(25,26)23-5-9-27-10-6-23)11-15(16)19(24)22-4-2-7-28-13-14-3-1-8-29-14/h11-12,14H,1-10,13H2,(H,22,24).
What are the key properties of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide has a molecular weight of 481.40 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide is sourced from PubChem (CID 154747662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).