4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine

C15H23N3O4S — CID 110352824

IUPAC4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine
SMILESCN(C)S(=O)(=O)Nc1ccc(C(=O)N2CCOCC2(C)C)cc1
InChIInChI=1S/C15H23N3O4S/c1-15(2)11-22-10-9-18(15)14(19)12-5-7-13(8-6-12)16-23(20,21)17(3)4/h5-8,16H,9-11H2,1-4H3
InChIKeyAILAQXHNHKSMRO-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.16
Rot. Bonds4

About 4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine

4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine (PubChem CID 110352824) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine
PubChem CID110352824
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine
SMILESCN(C)S(=O)(=O)Nc1ccc(C(=O)N2CCOCC2(C)C)cc1
InChIInChI=1S/C15H23N3O4S/c1-15(2)11-22-10-9-18(15)14(19)12-5-7-13(8-6-12)16-23(20,21)17(3)4/h5-8,16H,9-11H2,1-4H3
InChIKeyAILAQXHNHKSMRO-UHFFFAOYSA-N
XLogP1.16
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine
CID 110352653
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide
CID 110352817
1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea
CID 110352798
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide
CID 110352784
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide
CID 110352768
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
CID 110352818
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide
CID 110352783
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide
CID 110352811
4-(dimethylsulfamoylamino)benzoic acid
CID 653734
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61427841
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 110352787
(4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 107074853

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine?
The IUPAC name of 4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine (CID 110352824) is 4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine.
What is the SMILES notation for 4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine?
The canonical SMILES for 4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine is CN(C)S(=O)(=O)Nc1ccc(C(=O)N2CCOCC2(C)C)cc1.
What is the InChIKey of 4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine?
The InChIKey is AILAQXHNHKSMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-15(2)11-22-10-9-18(15)14(19)12-5-7-13(8-6-12)16-23(20,21)17(3)4/h5-8,16H,9-11H2,1-4H3.
What are the key properties of 4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine?
4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine has a molecular weight of 341.43 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine is sourced from PubChem (CID 110352824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).