N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide

C23H26N2O4S2 — CID 22202709

IUPACN-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C23H26N2O4S2/c1-17(2)16-19-8-12-21(13-9-19)30(26,27)24-20-10-14-22(15-11-20)31(28,29)25-23-7-5-4-6-18(23)3/h4-15,17,24-25H,16H2,1-3H3
InChIKeyPJHYKPREDDAFKD-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.80
Rot. Bonds8

About N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide

N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 22202709) has the molecular formula C23H26N2O4S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
PubChem CID22202709
Molecular FormulaC23H26N2O4S2
Molecular Weight458.61 g/mol
Exact Mass458.13
IUPAC NameN-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C23H26N2O4S2/c1-17(2)16-19-8-12-21(13-9-19)30(26,27)24-20-10-14-22(15-11-20)31(28,29)25-23-7-5-4-6-18(23)3/h4-15,17,24-25H,16H2,1-3H3
InChIKeyPJHYKPREDDAFKD-UHFFFAOYSA-N
XLogP4.80
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)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

N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 26012723
4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 17388107
N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773415
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202725
N-(3-hydroxy-2,4-dimethylphenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 60534987
N-(4-methyl-3-nitrophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22775049
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-phenylacetamide
CID 22306588
propan-2-yl 4-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoate
CID 22774775
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
N-[4-(1H-indol-2-yl)phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 46331654

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide (CID 22202709) is N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is PJHYKPREDDAFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S2/c1-17(2)16-19-8-12-21(13-9-19)30(26,27)24-20-10-14-22(15-11-20)31(28,29)25-23-7-5-4-6-18(23)3/h4-15,17,24-25H,16H2,1-3H3.
What are the key properties of N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide?
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 458.61 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 22202709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).