3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide

C14H22BrNO4S — CID 103270413

IUPAC3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide
SMILESCCOCC(NS(=O)(=O)c1ccc(OC)c(Br)c1)C(C)C
InChIInChI=1S/C14H22BrNO4S/c1-5-20-9-13(10(2)3)16-21(17,18)11-6-7-14(19-4)12(15)8-11/h6-8,10,13,16H,5,9H2,1-4H3
InChIKeyZHYUJOKVYMCNBX-UHFFFAOYSA-N
MW380.30 g/mol
LogP2.80
Rot. Bonds8

About 3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide

3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 103270413) has the molecular formula C14H22BrNO4S and a molecular weight of 380.30 g/mol. Its IUPAC name is 3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide
PubChem CID103270413
Molecular FormulaC14H22BrNO4S
Molecular Weight380.30 g/mol
Exact Mass379.05
IUPAC Name3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide
SMILESCCOCC(NS(=O)(=O)c1ccc(OC)c(Br)c1)C(C)C
InChIInChI=1S/C14H22BrNO4S/c1-5-20-9-13(10(2)3)16-21(17,18)11-6-7-14(19-4)12(15)8-11/h6-8,10,13,16H,5,9H2,1-4H3
InChIKeyZHYUJOKVYMCNBX-UHFFFAOYSA-N
XLogP2.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270402
methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate
CID 55029414
3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270415
2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103113314
3-bromo-4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165455
4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 81438617
3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966879
N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide
CID 63733775
3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 79255139
3-bromo-N-[4-[(2R)-butan-2-yl]phenyl]-4-methoxybenzenesulfonamide
CID 2697059
3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 30964155
3-bromo-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61059985

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide (CID 103270413) is 3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide is CCOCC(NS(=O)(=O)c1ccc(OC)c(Br)c1)C(C)C.
What is the InChIKey of 3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is ZHYUJOKVYMCNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO4S/c1-5-20-9-13(10(2)3)16-21(17,18)11-6-7-14(19-4)12(15)8-11/h6-8,10,13,16H,5,9H2,1-4H3.
What are the key properties of 3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide?
3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 380.30 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 103270413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).