N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride

C13H22ClN3O3S — CID 119704245

IUPACN-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCCNS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-14-9-5-8-13(17)15-10-11-16-20(18,19)12-6-3-2-4-7-12;/h2-4,6-7,14,16H,5,8-11H2,1H3,(H,15,17);1H
InChIKeyBVLFYVUWDDPXTM-UHFFFAOYSA-N
MW335.86 g/mol
LogP0.50
Rot. Bonds9

About N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride

N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119704245) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119704245
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCCNS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-14-9-5-8-13(17)15-10-11-16-20(18,19)12-6-3-2-4-7-12;/h2-4,6-7,14,16H,5,8-11H2,1H3,(H,15,17);1H
InChIKeyBVLFYVUWDDPXTM-UHFFFAOYSA-N
XLogP0.50
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 119704161
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704291
4-(methylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 119752364
N-[2-(methylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119503433
N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119433256
3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431442
N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide
CID 78894551
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide
CID 33338052
N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride
CID 119430375
N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 78869966
7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide
CID 4178016
6-(benzenesulfonamido)-N-hydroxyhexanamide
CID 11601667

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride (CID 119704245) is N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NCCNS(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is BVLFYVUWDDPXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S.ClH/c1-14-9-5-8-13(17)15-10-11-16-20(18,19)12-6-3-2-4-7-12;/h2-4,6-7,14,16H,5,8-11H2,1H3,(H,15,17);1H.
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride?
N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 0.50, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119704245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).