5-(aminomethyl)-3-bromo-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide

C14H21BrN2O3S — CID 81481552

IUPAC5-(aminomethyl)-3-bromo-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide
SMILESCOC1CCCC1NS(=O)(=O)c1cc(CN)cc(Br)c1C
InChIInChI=1S/C14H21BrN2O3S/c1-9-11(15)6-10(8-16)7-14(9)21(18,19)17-12-4-3-5-13(12)20-2/h6-7,12-13,17H,3-5,8,16H2,1-2H3
InChIKeyJHQKCBWVLVZBRG-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.06
Rot. Bonds5

About 5-(aminomethyl)-3-bromo-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide

5-(aminomethyl)-3-bromo-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide (PubChem CID 81481552) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 5-(aminomethyl)-3-bromo-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-3-bromo-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide
PubChem CID81481552
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name5-(aminomethyl)-3-bromo-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide
SMILESCOC1CCCC1NS(=O)(=O)c1cc(CN)cc(Br)c1C
InChIInChI=1S/C14H21BrN2O3S/c1-9-11(15)6-10(8-16)7-14(9)21(18,19)17-12-4-3-5-13(12)20-2/h6-7,12-13,17H,3-5,8,16H2,1-2H3
InChIKeyJHQKCBWVLVZBRG-UHFFFAOYSA-N
XLogP2.06
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide
CID 81487837
3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide
CID 62088716
4-[(2-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805249
4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide
CID 103757199
4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide
CID 62088805
5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106091811
N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327839
5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide
CID 81488210
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 124686386
5-(aminomethyl)-3-bromo-N-(2-butoxyethyl)-2-methylbenzenesulfonamide
CID 106017604
5-bromo-4-[(2-methoxycyclopentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62088385
4-(aminomethyl)-2-bromo-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106091659

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-bromo-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-3-bromo-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide (CID 81481552) is 5-(aminomethyl)-3-bromo-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-3-bromo-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-3-bromo-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide is COC1CCCC1NS(=O)(=O)c1cc(CN)cc(Br)c1C.
What is the InChIKey of 5-(aminomethyl)-3-bromo-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide?
The InChIKey is JHQKCBWVLVZBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-9-11(15)6-10(8-16)7-14(9)21(18,19)17-12-4-3-5-13(12)20-2/h6-7,12-13,17H,3-5,8,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-3-bromo-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide?
5-(aminomethyl)-3-bromo-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide has a molecular weight of 377.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-bromo-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 81481552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).