N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide

C18H20Cl2N2O3S — CID 78894551

IUPACN-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide
SMILESO=C(CCCc1ccc(Cl)c(Cl)c1)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20Cl2N2O3S/c19-16-10-9-14(13-17(16)20)5-4-8-18(23)21-11-12-22-26(24,25)15-6-2-1-3-7-15/h1-3,6-7,9-10,13,22H,4-5,8,11-12H2,(H,21,23)
InChIKeyHUZYMDOQCBIGEI-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.41
Rot. Bonds9

About N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide

N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide (PubChem CID 78894551) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide
PubChem CID78894551
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide
SMILESO=C(CCCc1ccc(Cl)c(Cl)c1)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20Cl2N2O3S/c19-16-10-9-14(13-17(16)20)5-4-8-18(23)21-11-12-22-26(24,25)15-6-2-1-3-7-15/h1-3,6-7,9-10,13,22H,4-5,8,11-12H2,(H,21,23)
InChIKeyHUZYMDOQCBIGEI-UHFFFAOYSA-N
XLogP3.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide
CID 47286286
N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704245
4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119432244
3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
CID 11978291
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide
CID 55609087
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(3,4-dichlorophenyl)sulfonylamino]butanamide
CID 36804440
N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 78869966
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806518
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide
CID 33338052
3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118763
3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
CID 52703842
N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide
CID 119628605

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide (CID 78894551) is N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide is O=C(CCCc1ccc(Cl)c(Cl)c1)NCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide?
The InChIKey is HUZYMDOQCBIGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c19-16-10-9-14(13-17(16)20)5-4-8-18(23)21-11-12-22-26(24,25)15-6-2-1-3-7-15/h1-3,6-7,9-10,13,22H,4-5,8,11-12H2,(H,21,23).
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide?
N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide has a molecular weight of 415.34 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide is sourced from PubChem (CID 78894551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).