4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide

C14H23BrN2O3S — CID 62058154

IUPAC4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)N(CCOC)S(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C14H23BrN2O3S/c1-4-11(5-2)17(8-9-20-3)21(18,19)12-6-7-14(16)13(15)10-12/h6-7,10-11H,4-5,8-9,16H2,1-3H3
InChIKeyHGIZCJJHNJPVRU-UHFFFAOYSA-N
MW379.32 g/mol
LogP2.86
Rot. Bonds8

About 4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide

4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide (PubChem CID 62058154) has the molecular formula C14H23BrN2O3S and a molecular weight of 379.32 g/mol. Its IUPAC name is 4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide
PubChem CID62058154
Molecular FormulaC14H23BrN2O3S
Molecular Weight379.32 g/mol
Exact Mass378.06
IUPAC Name4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)N(CCOC)S(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C14H23BrN2O3S/c1-4-11(5-2)17(8-9-20-3)21(18,19)12-6-7-14(16)13(15)10-12/h6-7,10-11H,4-5,8-9,16H2,1-3H3
InChIKeyHGIZCJJHNJPVRU-UHFFFAOYSA-N
XLogP2.86
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-bromo-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 115328826
N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide
CID 52620638
2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide
CID 62151483
4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64601232
4-bromo-2-N-(2-methoxyethyl)-2-N-pentan-3-ylbenzene-1,2-diamine
CID 65342498
3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948814
3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82959752
3-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 61060778
N-(2-methoxyethyl)-2-(methylamino)-N-pentan-3-ylpyrimidine-5-sulfonamide
CID 62153472
3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 106545578
4-amino-3,5-dibromo-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 54465252
1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide
CID 83084265

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide (CID 62058154) is 4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide is CCC(CC)N(CCOC)S(=O)(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is HGIZCJJHNJPVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O3S/c1-4-11(5-2)17(8-9-20-3)21(18,19)12-6-7-14(16)13(15)10-12/h6-7,10-11H,4-5,8-9,16H2,1-3H3.
What are the key properties of 4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide?
4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 379.32 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 62058154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).