2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide

C14H18BrFN2O2S — CID 106491819

IUPAC2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)N(CC1CC1)CC1CC1
InChIInChI=1S/C14H18BrFN2O2S/c15-11-5-14(13(17)6-12(11)16)21(19,20)18(7-9-1-2-9)8-10-3-4-10/h5-6,9-10H,1-4,7-8,17H2
InChIKeyLJRNMTGBVSTCLT-UHFFFAOYSA-N
MW377.28 g/mol
LogP2.98
Rot. Bonds6

About 2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide

2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide (PubChem CID 106491819) has the molecular formula C14H18BrFN2O2S and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide
PubChem CID106491819
Molecular FormulaC14H18BrFN2O2S
Molecular Weight377.28 g/mol
Exact Mass376.03
IUPAC Name2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)N(CC1CC1)CC1CC1
InChIInChI=1S/C14H18BrFN2O2S/c15-11-5-14(13(17)6-12(11)16)21(19,20)18(7-9-1-2-9)8-10-3-4-10/h5-6,9-10H,1-4,7-8,17H2
InChIKeyLJRNMTGBVSTCLT-UHFFFAOYSA-N
XLogP2.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide 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

2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide
CID 106491360
2-amino-5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 106491934
2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 106491295
2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 106491500
2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide
CID 81435152
2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide
CID 106491371
2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63955321
4-bromo-2-N-(cyclopropylmethyl)-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 116735579
2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 106491921
4-bromo-5-fluoro-2-methylsulfonylaniline
CID 116736764
2-amino-5-bromo-N-(2-cyanoethyl)-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 106491549
4-bromo-2-(3-ethylpyrrolidin-1-yl)sulfonyl-5-fluoroaniline
CID 106492036

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide (CID 106491819) is 2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide is Nc1cc(F)c(Br)cc1S(=O)(=O)N(CC1CC1)CC1CC1.
What is the InChIKey of 2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide?
The InChIKey is LJRNMTGBVSTCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2S/c15-11-5-14(13(17)6-12(11)16)21(19,20)18(7-9-1-2-9)8-10-3-4-10/h5-6,9-10H,1-4,7-8,17H2.
What are the key properties of 2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide?
2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide has a molecular weight of 377.28 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 106491819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).