N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide

C17H19BrN2O4S — CID 30877312

IUPACN-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C17H19BrN2O4S/c1-3-4-17(21)19-14-9-10-15(24-2)16(11-14)25(22,23)20-13-7-5-12(18)6-8-13/h5-11,20H,3-4H2,1-2H3,(H,19,21)
InChIKeyPAZPIZZUIJRACO-UHFFFAOYSA-N
MW427.32 g/mol
LogP4.00
Rot. Bonds7

About N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide

N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide (PubChem CID 30877312) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide.

Molecular Properties

Compound NameN-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
PubChem CID30877312
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC NameN-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C17H19BrN2O4S/c1-3-4-17(21)19-14-9-10-15(24-2)16(11-14)25(22,23)20-13-7-5-12(18)6-8-13/h5-11,20H,3-4H2,1-2H3,(H,19,21)
InChIKeyPAZPIZZUIJRACO-UHFFFAOYSA-N
XLogP4.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide
CID 39709166
3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 55790257
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide
CID 71771105
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-4-fluorobenzamide
CID 26850573
(2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide
CID 35745347
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
CID 166186504
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]furan-3-carboxamide
CID 25348399
4-(4-ethoxyphenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 4851333
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylsulfanylacetamide
CID 4788054
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide
CID 17491857

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide?
The IUPAC name of N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide (CID 30877312) is N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide.
What is the SMILES notation for N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide?
The canonical SMILES for N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide is CCCC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide?
The InChIKey is PAZPIZZUIJRACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-3-4-17(21)19-14-9-10-15(24-2)16(11-14)25(22,23)20-13-7-5-12(18)6-8-13/h5-11,20H,3-4H2,1-2H3,(H,19,21).
What are the key properties of N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide?
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide has a molecular weight of 427.32 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide is sourced from PubChem (CID 30877312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).