N-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide

C22H21BrN2O4S — CID 55840132

IUPACN-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide
SMILESO=C(CCCOc1ccccc1Br)Nc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H21BrN2O4S/c23-20-12-4-5-13-21(20)29-15-7-14-22(26)24-17-8-6-9-18(16-17)25-30(27,28)19-10-2-1-3-11-19/h1-6,8-13,16,25H,7,14-15H2,(H,24,26)
InChIKeySNWUKQBHUALATP-UHFFFAOYSA-N
MW489.39 g/mol
LogP5.05
Rot. Bonds9

About N-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide

N-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide (PubChem CID 55840132) has the molecular formula C22H21BrN2O4S and a molecular weight of 489.39 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide
PubChem CID55840132
Molecular FormulaC22H21BrN2O4S
Molecular Weight489.39 g/mol
Exact Mass488.04
IUPAC NameN-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide
SMILESO=C(CCCOc1ccccc1Br)Nc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H21BrN2O4S/c23-20-12-4-5-13-21(20)29-15-7-14-22(26)24-17-8-6-9-18(16-17)25-30(27,28)19-10-2-1-3-11-19/h1-6,8-13,16,25H,7,14-15H2,(H,24,26)
InChIKeySNWUKQBHUALATP-UHFFFAOYSA-N
XLogP5.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.39
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide 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

N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide
CID 55706016
N-[3-(benzenesulfonamido)phenyl]-3-(2-hydroxyphenyl)propanamide
CID 55721517
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide
CID 55760971
4-(2-bromo-4-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 19202578
N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide
CID 55706773
4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 84553820
4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide
CID 19201486
N-[3-(benzenesulfonamido)phenyl]-2-benzhydryloxyacetamide
CID 55721516
2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7847691
4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide
CID 84551757
4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide
CID 19201641
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide
CID 24639796

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide?
The IUPAC name of N-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide (CID 55840132) is N-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide?
The canonical SMILES for N-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide is O=C(CCCOc1ccccc1Br)Nc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide?
The InChIKey is SNWUKQBHUALATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4S/c23-20-12-4-5-13-21(20)29-15-7-14-22(26)24-17-8-6-9-18(16-17)25-30(27,28)19-10-2-1-3-11-19/h1-6,8-13,16,25H,7,14-15H2,(H,24,26).
What are the key properties of N-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide?
N-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide has a molecular weight of 489.39 g/mol, XLogP of 5.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide is sourced from PubChem (CID 55840132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).