5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide

C14H20BrNO3S — CID 47480367

IUPAC5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(C)CC1CCCC1
InChIInChI=1S/C14H20BrNO3S/c1-16(10-11-5-3-4-6-11)20(17,18)14-9-12(15)7-8-13(14)19-2/h7-9,11H,3-6,10H2,1-2H3
InChIKeyPTGLMGDIXQUOGL-UHFFFAOYSA-N
MW362.29 g/mol
LogP3.27
Rot. Bonds5

About 5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide

5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 47480367) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is 5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
PubChem CID47480367
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(C)CC1CCCC1
InChIInChI=1S/C14H20BrNO3S/c1-16(10-11-5-3-4-6-11)20(17,18)14-9-12(15)7-8-13(14)19-2/h7-9,11H,3-6,10H2,1-2H3
InChIKeyPTGLMGDIXQUOGL-UHFFFAOYSA-N
XLogP3.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 47480383
5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide
CID 102635646
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 15590963
5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide
CID 102945989
4-(chloromethyl)-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 102704246
5-bromo-2-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113356114
5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 23968657
4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63631384
N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 32941824
2-amino-5-bromo-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63725917
5-bromo-2-methoxy-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 78947897
N-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide
CID 52793193

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide (CID 47480367) is 5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)N(C)CC1CCCC1.
What is the InChIKey of 5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is PTGLMGDIXQUOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c1-16(10-11-5-3-4-6-11)20(17,18)14-9-12(15)7-8-13(14)19-2/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of 5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide?
5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 362.29 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 47480367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).