2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide

C14H22BrN3O2S — CID 83107309

IUPAC2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2cc(Br)ccc2N)CCCC1
InChIInChI=1S/C14H22BrN3O2S/c1-18(2)14(7-3-4-8-14)10-17-21(19,20)13-9-11(15)5-6-12(13)16/h5-6,9,17H,3-4,7-8,10,16H2,1-2H3
InChIKeyIFXCBDZUHPHMIE-UHFFFAOYSA-N
MW376.32 g/mol
LogP2.18
Rot. Bonds5

About 2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide

2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide (PubChem CID 83107309) has the molecular formula C14H22BrN3O2S and a molecular weight of 376.32 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
PubChem CID83107309
Molecular FormulaC14H22BrN3O2S
Molecular Weight376.32 g/mol
Exact Mass375.06
IUPAC Name2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2cc(Br)ccc2N)CCCC1
InChIInChI=1S/C14H22BrN3O2S/c1-18(2)14(7-3-4-8-14)10-17-21(19,20)13-9-11(15)5-6-12(13)16/h5-6,9,17H,3-4,7-8,10,16H2,1-2H3
InChIKeyIFXCBDZUHPHMIE-UHFFFAOYSA-N
XLogP2.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108494
5-amino-2-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108622
2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 83107893
4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83113474
4-(aminomethyl)-2-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 106087070
2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 54888653
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
CID 83108257
2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 105413667
2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83012506
6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-dimethylbenzenesulfonamide
CID 105413590
4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide
CID 55663677
5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide
CID 105413622

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide (CID 83107309) is 2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide is CN(C)C1(CNS(=O)(=O)c2cc(Br)ccc2N)CCCC1.
What is the InChIKey of 2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide?
The InChIKey is IFXCBDZUHPHMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2S/c1-18(2)14(7-3-4-8-14)10-17-21(19,20)13-9-11(15)5-6-12(13)16/h5-6,9,17H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of 2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide?
2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide has a molecular weight of 376.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide is sourced from PubChem (CID 83107309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).