4-bromo-3-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C14H21BrN2O4S — CID 6461465

IUPAC4-bromo-3-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1Br
InChIInChI=1S/C14H21BrN2O4S/c1-2-21-14-11-12(3-4-13(14)15)22(18,19)16-5-6-17-7-9-20-10-8-17/h3-4,11,16H,2,5-10H2,1H3
InChIKeyHNPBILIDEMFVMQ-UHFFFAOYSA-N
MW393.30 g/mol
LogP1.46
Rot. Bonds7

About 4-bromo-3-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide

4-bromo-3-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 6461465) has the molecular formula C14H21BrN2O4S and a molecular weight of 393.30 g/mol. Its IUPAC name is 4-bromo-3-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID6461465
Molecular FormulaC14H21BrN2O4S
Molecular Weight393.30 g/mol
Exact Mass392.04
IUPAC Name4-bromo-3-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1Br
InChIInChI=1S/C14H21BrN2O4S/c1-2-21-14-11-12(3-4-13(14)15)22(18,19)16-5-6-17-7-9-20-10-8-17/h3-4,11,16H,2,5-10H2,1H3
InChIKeyHNPBILIDEMFVMQ-UHFFFAOYSA-N
XLogP1.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-methoxy-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 1143545
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
1-((3-Bromo-4-methoxyphenyl)sulfonyl)-4-ethylpiperazine
CID 1295697
3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide
CID 2442102
4-bromo-3-methoxy-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 2967761
4-(4-Bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2969390
4-bromo-N-[1-(2-phenoxyethyl)piperidin-4-yl]benzenesulfonamide
CID 145963863
4-bromo-N-[1-[2-(3-bromophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 145973487
N-[1-[2-(2-bromophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 145976698
1-[(4-Bromo-2,5-dimethoxyphenyl)sulfonyl]-4-methylpiperazine
CID 660834
4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
CID 850059
4-bromo-N-ethyl-3-methoxybenzenesulfonamide
CID 850060

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 6461465) is 4-bromo-3-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide is CCOc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1Br.
What is the InChIKey of 4-bromo-3-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is HNPBILIDEMFVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O4S/c1-2-21-14-11-12(3-4-13(14)15)22(18,19)16-5-6-17-7-9-20-10-8-17/h3-4,11,16H,2,5-10H2,1H3.
What are the key properties of 4-bromo-3-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
4-bromo-3-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 393.30 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 6461465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).