N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide

C13H19BrN2O2S — CID 106061301

IUPACN-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
SMILESO=S(=O)(CCCCNC1CC1)Nc1ccccc1Br
InChIInChI=1S/C13H19BrN2O2S/c14-12-5-1-2-6-13(12)16-19(17,18)10-4-3-9-15-11-7-8-11/h1-2,5-6,11,15-16H,3-4,7-10H2
InChIKeyOFRAIWOYBDYQTI-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.72
Rot. Bonds8

About N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide

N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide (PubChem CID 106061301) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
PubChem CID106061301
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC NameN-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
SMILESO=S(=O)(CCCCNC1CC1)Nc1ccccc1Br
InChIInChI=1S/C13H19BrN2O2S/c14-12-5-1-2-6-13(12)16-19(17,18)10-4-3-9-15-11-7-8-11/h1-2,5-6,11,15-16H,3-4,7-10H2
InChIKeyOFRAIWOYBDYQTI-UHFFFAOYSA-N
XLogP2.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide 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-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide
CID 106005891
4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide
CID 106003237
3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide
CID 107591687
N-(2-bromo-4-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106043185
N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106073353
3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide
CID 106030688
4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide
CID 106071188
N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106061607
4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide
CID 106060068
N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106031181
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106029188
N-(3-bromo-5-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106089298

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide?
The IUPAC name of N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide (CID 106061301) is N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide?
The canonical SMILES for N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide is O=S(=O)(CCCCNC1CC1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide?
The InChIKey is OFRAIWOYBDYQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c14-12-5-1-2-6-13(12)16-19(17,18)10-4-3-9-15-11-7-8-11/h1-2,5-6,11,15-16H,3-4,7-10H2.
What are the key properties of N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide?
N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide has a molecular weight of 347.28 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide is sourced from PubChem (CID 106061301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).