N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C20H24ClN3O5S — CID 46458104

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Cl)c2N(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H24ClN3O5S/c1-23(2)19-15(21)5-4-6-16(19)22-20(25)14-7-8-17(28-3)18(13-14)30(26,27)24-9-11-29-12-10-24/h4-8,13H,9-12H2,1-3H3,(H,22,25)
InChIKeyDTWGYFYGEDOJIY-UHFFFAOYSA-N
MW453.95 g/mol
LogP2.69
Rot. Bonds6

About N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 46458104) has the molecular formula C20H24ClN3O5S and a molecular weight of 453.95 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID46458104
Molecular FormulaC20H24ClN3O5S
Molecular Weight453.95 g/mol
Exact Mass453.11
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Cl)c2N(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H24ClN3O5S/c1-23(2)19-15(21)5-4-6-16(19)22-20(25)14-7-8-17(28-3)18(13-14)30(26,27)24-9-11-29-12-10-24/h4-8,13H,9-12H2,1-3H3,(H,22,25)
InChIKeyDTWGYFYGEDOJIY-UHFFFAOYSA-N
XLogP2.69
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.95
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892289
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
4-methoxy-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5058872
4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide
CID 46465140
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26210559
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
N-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55985107
N-(4-carbamoylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 7926425
N-(4-chloro-3-cyanophenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55480876
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892263
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 46458104) is N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2cccc(Cl)c2N(C)C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DTWGYFYGEDOJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O5S/c1-23(2)19-15(21)5-4-6-16(19)22-20(25)14-7-8-17(28-3)18(13-14)30(26,27)24-9-11-29-12-10-24/h4-8,13H,9-12H2,1-3H3,(H,22,25).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 453.95 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 46458104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).