4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide

C16H19BrN2O3S — CID 16644689

IUPAC4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C16H19BrN2O3S/c17-15-5-6-16(14-4-2-1-3-13(14)15)23(20,21)18-7-8-19-9-11-22-12-10-19/h1-6,18H,7-12H2
InChIKeySIDSQMXVTOADDT-UHFFFAOYSA-N
MW399.31 g/mol
LogP2.21
Rot. Bonds5

About 4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide

4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide (PubChem CID 16644689) has the molecular formula C16H19BrN2O3S and a molecular weight of 399.31 g/mol. Its IUPAC name is 4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide
PubChem CID16644689
Molecular FormulaC16H19BrN2O3S
Molecular Weight399.31 g/mol
Exact Mass398.03
IUPAC Name4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C16H19BrN2O3S/c17-15-5-6-16(14-4-2-1-3-13(14)15)23(20,21)18-7-8-19-9-11-22-12-10-19/h1-6,18H,7-12H2
InChIKeySIDSQMXVTOADDT-UHFFFAOYSA-N
XLogP2.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60822981
1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide
CID 70180257
4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43256797
2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 81242131
4-(4-bromonaphthalen-1-yl)sulfonylmorpholine
CID 1372559
2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348234
2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3138209
2-benzoyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride
CID 3086747
2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60703082
3-amino-4-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 115328739
2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 60986438
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide?
The IUPAC name of 4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide (CID 16644689) is 4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide is O=S(=O)(NCCN1CCOCC1)c1ccc(Br)c2ccccc12.
What is the InChIKey of 4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide?
The InChIKey is SIDSQMXVTOADDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3S/c17-15-5-6-16(14-4-2-1-3-13(14)15)23(20,21)18-7-8-19-9-11-22-12-10-19/h1-6,18H,7-12H2.
What are the key properties of 4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide?
4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide has a molecular weight of 399.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 16644689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).