N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride

C13H22ClN3O3S — CID 119672919

IUPACN-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-14-9-5-8-13(17)15-11-6-4-7-12(10-11)20(18,19)16(2)3;/h4,6-7,10,14H,5,8-9H2,1-3H3,(H,15,17);1H
InChIKeyZLYLEXZQFZXMBA-UHFFFAOYSA-N
MW335.86 g/mol
LogP1.30
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride

N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119672919) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119672919
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-14-9-5-8-13(17)15-11-6-4-7-12(10-11)20(18,19)16(2)3;/h4,6-7,10,14H,5,8-9H2,1-3H3,(H,15,17);1H
InChIKeyZLYLEXZQFZXMBA-UHFFFAOYSA-N
XLogP1.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide
CID 43346819
N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
CID 4780433
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
CID 61259448
4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 24819422
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide
CID 119689771
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(methylamino)butanamide
CID 119676774
N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672946
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide
CID 51277442
3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 26644643
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)anilino]-3-oxopropyl]benzamide
CID 26654085

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride (CID 119672919) is N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.Cl.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is ZLYLEXZQFZXMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S.ClH/c1-14-9-5-8-13(17)15-11-6-4-7-12(10-11)20(18,19)16(2)3;/h4,6-7,10,14H,5,8-9H2,1-3H3,(H,15,17);1H.
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride?
N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119672919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).