2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide

C14H21BrN2O3S — CID 120710016

IUPAC2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC2CCCNC2)c(Br)c1
InChIInChI=1S/C14H21BrN2O3S/c1-20-12-4-5-14(13(15)9-12)21(18,19)17-8-6-11-3-2-7-16-10-11/h4-5,9,11,16-17H,2-3,6-8,10H2,1H3
InChIKeyUDJVXETVMWOSID-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.13
Rot. Bonds6

About 2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide

2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide (PubChem CID 120710016) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide
PubChem CID120710016
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC2CCCNC2)c(Br)c1
InChIInChI=1S/C14H21BrN2O3S/c1-20-12-4-5-14(13(15)9-12)21(18,19)17-8-6-11-3-2-7-16-10-11/h4-5,9,11,16-17H,2-3,6-8,10H2,1H3
InChIKeyUDJVXETVMWOSID-UHFFFAOYSA-N
XLogP2.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 81319102
4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979446
4-methoxy-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968409
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 63629233
2-bromo-4-fluoro-N-[2-[(3S)-pyrrolidin-3-yl]ethyl]benzenesulfonamide
CID 98572226
2-bromo-4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977191
2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979225
2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide
CID 63629400
4-chloro-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979704
4-bromo-5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 120709577
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63624523
methyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate
CID 119979722

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide (CID 120710016) is 2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCC2CCCNC2)c(Br)c1.
What is the InChIKey of 2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The InChIKey is UDJVXETVMWOSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-20-12-4-5-14(13(15)9-12)21(18,19)17-8-6-11-3-2-7-16-10-11/h4-5,9,11,16-17H,2-3,6-8,10H2,1H3.
What are the key properties of 2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide has a molecular weight of 377.30 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 120710016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).