2-bromo-5-(hydroxymethyl)-3-methyl-N-(1-methylcyclopentyl)benzenesulfonamide

C14H20BrNO3S — CID 114363214

IUPAC2-bromo-5-(hydroxymethyl)-3-methyl-N-(1-methylcyclopentyl)benzenesulfonamide
SMILESCc1cc(CO)cc(S(=O)(=O)NC2(C)CCCC2)c1Br
InChIInChI=1S/C14H20BrNO3S/c1-10-7-11(9-17)8-12(13(10)15)20(18,19)16-14(2)5-3-4-6-14/h7-8,16-17H,3-6,9H2,1-2H3
InChIKeyQAVNFLWDBZGKHW-UHFFFAOYSA-N
MW362.29 g/mol
LogP2.86
Rot. Bonds4

About 2-bromo-5-(hydroxymethyl)-3-methyl-N-(1-methylcyclopentyl)benzenesulfonamide

2-bromo-5-(hydroxymethyl)-3-methyl-N-(1-methylcyclopentyl)benzenesulfonamide (PubChem CID 114363214) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is 2-bromo-5-(hydroxymethyl)-3-methyl-N-(1-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-(hydroxymethyl)-3-methyl-N-(1-methylcyclopentyl)benzenesulfonamide
PubChem CID114363214
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name2-bromo-5-(hydroxymethyl)-3-methyl-N-(1-methylcyclopentyl)benzenesulfonamide
SMILESCc1cc(CO)cc(S(=O)(=O)NC2(C)CCCC2)c1Br
InChIInChI=1S/C14H20BrNO3S/c1-10-7-11(9-17)8-12(13(10)15)20(18,19)16-14(2)5-3-4-6-14/h7-8,16-17H,3-6,9H2,1-2H3
InChIKeyQAVNFLWDBZGKHW-UHFFFAOYSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-(hydroxymethyl)-2-methyl-N-(1-methylcyclohexyl)benzenesulfonamide
CID 81480601
5-(hydroxymethyl)-2,3-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113486161
2-bromo-5-(hydroxymethyl)-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218435
5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide
CID 81487837
2-bromo-N-(2-cyclobutylethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide
CID 114363296
2-bromo-N-(1-ethylcyclobutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 114365761
2-bromo-N-(2-cyclopropylpropyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide
CID 114363295
3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113486170
2-bromo-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide
CID 114363027
3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485255
2-bromo-5-(hydroxymethyl)-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423616
4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 106997142

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(hydroxymethyl)-3-methyl-N-(1-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 2-bromo-5-(hydroxymethyl)-3-methyl-N-(1-methylcyclopentyl)benzenesulfonamide (CID 114363214) is 2-bromo-5-(hydroxymethyl)-3-methyl-N-(1-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-5-(hydroxymethyl)-3-methyl-N-(1-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-5-(hydroxymethyl)-3-methyl-N-(1-methylcyclopentyl)benzenesulfonamide is Cc1cc(CO)cc(S(=O)(=O)NC2(C)CCCC2)c1Br.
What is the InChIKey of 2-bromo-5-(hydroxymethyl)-3-methyl-N-(1-methylcyclopentyl)benzenesulfonamide?
The InChIKey is QAVNFLWDBZGKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c1-10-7-11(9-17)8-12(13(10)15)20(18,19)16-14(2)5-3-4-6-14/h7-8,16-17H,3-6,9H2,1-2H3.
What are the key properties of 2-bromo-5-(hydroxymethyl)-3-methyl-N-(1-methylcyclopentyl)benzenesulfonamide?
2-bromo-5-(hydroxymethyl)-3-methyl-N-(1-methylcyclopentyl)benzenesulfonamide has a molecular weight of 362.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(hydroxymethyl)-3-methyl-N-(1-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114363214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).