4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide

C13H19BrN2O2S — CID 63631384

IUPAC4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C13H19BrN2O2S/c1-16(9-10-4-2-3-5-10)19(17,18)13-7-6-11(15)8-12(13)14/h6-8,10H,2-5,9,15H2,1H3
InChIKeyALMLCNJVSYWRAJ-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.84
Rot. Bonds4

About 4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide

4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide (PubChem CID 63631384) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
PubChem CID63631384
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C13H19BrN2O2S/c1-16(9-10-4-2-3-5-10)19(17,18)13-7-6-11(15)8-12(13)14/h6-8,10H,2-5,9,15H2,1H3
InChIKeyALMLCNJVSYWRAJ-UHFFFAOYSA-N
XLogP2.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 62854427
4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide
CID 43255875
5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide
CID 62856750
3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 107343551
3-amino-2-bromo-5-chloro-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63633294
2-bromo-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63707428
methyl 4-amino-2-[cyclobutylmethyl(methyl)sulfamoyl]benzoate
CID 102931206
2-bromo-N,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63706922
4-amino-2-bromo-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61140278
4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 43256596
4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
CID 62067489
5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide
CID 64850304

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide (CID 63631384) is 4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide is CN(CC1CCCC1)S(=O)(=O)c1ccc(N)cc1Br.
What is the InChIKey of 4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is ALMLCNJVSYWRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-16(9-10-4-2-3-5-10)19(17,18)13-7-6-11(15)8-12(13)14/h6-8,10H,2-5,9,15H2,1H3.
What are the key properties of 4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide?
4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 347.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 63631384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).