4-(4-bromophenyl)sulfonyl-N-[3-(methylamino)propyl]butanamide

C14H21BrN2O3S — CID 119432381

IUPAC4-(4-bromophenyl)sulfonyl-N-[3-(methylamino)propyl]butanamide
SMILESCNCCCNC(=O)CCCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O3S/c1-16-9-3-10-17-14(18)4-2-11-21(19,20)13-7-5-12(15)6-8-13/h5-8,16H,2-4,9-11H2,1H3,(H,17,18)
InChIKeySSCHIJSDOHUWIP-UHFFFAOYSA-N
MW377.30 g/mol
LogP1.73
Rot. Bonds9

About 4-(4-bromophenyl)sulfonyl-N-[3-(methylamino)propyl]butanamide

4-(4-bromophenyl)sulfonyl-N-[3-(methylamino)propyl]butanamide (PubChem CID 119432381) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-N-[3-(methylamino)propyl]butanamide.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-N-[3-(methylamino)propyl]butanamide
PubChem CID119432381
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name4-(4-bromophenyl)sulfonyl-N-[3-(methylamino)propyl]butanamide
SMILESCNCCCNC(=O)CCCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O3S/c1-16-9-3-10-17-14(18)4-2-11-21(19,20)13-7-5-12(15)6-8-13/h5-8,16H,2-4,9-11H2,1H3,(H,17,18)
InChIKeySSCHIJSDOHUWIP-UHFFFAOYSA-N
XLogP1.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-bromophenyl)sulfonyl-N-[3-(methylamino)propyl]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

3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431442
2-(4-bromophenyl)sulfonyl-N-methylethanamine
CID 60641137
N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119792992
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119739124
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide
CID 119430306
4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide
CID 86899870
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(methylamino)propyl]butanamide
CID 119434052
2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide
CID 119433897
N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide
CID 60842770
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
CID 174351347
3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide
CID 4781268
4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 119704161

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-N-[3-(methylamino)propyl]butanamide?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-N-[3-(methylamino)propyl]butanamide (CID 119432381) is 4-(4-bromophenyl)sulfonyl-N-[3-(methylamino)propyl]butanamide.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-N-[3-(methylamino)propyl]butanamide?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-N-[3-(methylamino)propyl]butanamide is CNCCCNC(=O)CCCS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-N-[3-(methylamino)propyl]butanamide?
The InChIKey is SSCHIJSDOHUWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-16-9-3-10-17-14(18)4-2-11-21(19,20)13-7-5-12(15)6-8-13/h5-8,16H,2-4,9-11H2,1H3,(H,17,18).
What are the key properties of 4-(4-bromophenyl)sulfonyl-N-[3-(methylamino)propyl]butanamide?
4-(4-bromophenyl)sulfonyl-N-[3-(methylamino)propyl]butanamide has a molecular weight of 377.30 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfonyl-N-[3-(methylamino)propyl]butanamide is sourced from PubChem (CID 119432381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).