4-(3-methylbutyl)-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide

C21H23N3O3S — CID 55676349

IUPAC4-(3-methylbutyl)-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
SMILESCC(C)CCc1ccc(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)cc1
InChIInChI=1S/C21H23N3O3S/c1-16(2)6-7-17-8-10-20(11-9-17)28(25,26)24-18-4-3-5-19(14-18)27-21-15-22-12-13-23-21/h3-5,8-16,24H,6-7H2,1-2H3
InChIKeyNVIYKOKNXUWSEE-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.66
Rot. Bonds8

About 4-(3-methylbutyl)-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide

4-(3-methylbutyl)-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide (PubChem CID 55676349) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-(3-methylbutyl)-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-methylbutyl)-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
PubChem CID55676349
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name4-(3-methylbutyl)-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
SMILESCC(C)CCc1ccc(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)cc1
InChIInChI=1S/C21H23N3O3S/c1-16(2)6-7-17-8-10-20(11-9-17)28(25,26)24-18-4-3-5-19(14-18)27-21-15-22-12-13-23-21/h3-5,8-16,24H,6-7H2,1-2H3
InChIKeyNVIYKOKNXUWSEE-UHFFFAOYSA-N
XLogP4.66
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-methylbutyl)-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
CID 31912208
3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
CID 31912152
(E)-3-[4-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 39836222
N-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide
CID 39769711
dimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 31912381
N-(3-pyrazin-2-yloxyphenyl)-3,4-dihydronaphthalene-2-sulfonamide
CID 46437368
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide
CID 55559864
N-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117722
2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
CID 55896214
N-[3-chloro-4-(methanesulfonamido)phenyl]-4-(3-methylbutyl)benzenesulfonamide
CID 35545776
4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
CID 169370090
4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide
CID 14127632

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(3-methylbutyl)-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide (CID 55676349) is 4-(3-methylbutyl)-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-methylbutyl)-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(3-methylbutyl)-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide is CC(C)CCc1ccc(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)cc1.
What is the InChIKey of 4-(3-methylbutyl)-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide?
The InChIKey is NVIYKOKNXUWSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-16(2)6-7-17-8-10-20(11-9-17)28(25,26)24-18-4-3-5-19(14-18)27-21-15-22-12-13-23-21/h3-5,8-16,24H,6-7H2,1-2H3.
What are the key properties of 4-(3-methylbutyl)-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide?
4-(3-methylbutyl)-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide is sourced from PubChem (CID 55676349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).