N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide

C16H25N3O4S — CID 110677143

IUPACN-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C16H25N3O4S/c1-18(2)8-4-7-17-24(21,22)15-6-3-5-14(13-15)16(20)19-9-11-23-12-10-19/h3,5-6,13,17H,4,7-12H2,1-2H3
InChIKeyWTIBRGJFFUVZAO-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.39
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide

N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 110677143) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID110677143
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C16H25N3O4S/c1-18(2)8-4-7-17-24(21,22)15-6-3-5-14(13-15)16(20)19-9-11-23-12-10-19/h3,5-6,13,17H,4,7-12H2,1-2H3
InChIKeyWTIBRGJFFUVZAO-UHFFFAOYSA-N
XLogP0.39
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 55565689
N-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063964
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
3-(azepane-1-carbonyl)-N-butylbenzenesulfonamide
CID 17226694
3-[2-(dimethylamino)ethylsulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 109063961
N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677161
N-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 17226728
N-[3-(dimethylamino)propyl]-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059405
3-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 138989242
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677166
N-[3-(dimethylamino)propyl]-4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109059596

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide (CID 110677143) is N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide is CN(C)CCCNS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is WTIBRGJFFUVZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-18(2)8-4-7-17-24(21,22)15-6-3-5-14(13-15)16(20)19-9-11-23-12-10-19/h3,5-6,13,17H,4,7-12H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide?
N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 110677143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).