4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide

C21H22N2O4S2 — CID 1241617

IUPAC4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)cc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H22N2O4S2/c1-15-4-9-18(10-5-15)28(24,25)22-20-13-8-17(3)14-21(20)23-29(26,27)19-11-6-16(2)7-12-19/h4-14,22-23H,1-3H3
InChIKeyMMNVZLJZTMBSGA-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.21
Rot. Bonds6

About 4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide

4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide (PubChem CID 1241617) has the molecular formula C21H22N2O4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
PubChem CID1241617
Molecular FormulaC21H22N2O4S2
Molecular Weight430.55 g/mol
Exact Mass430.10
IUPAC Name4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)cc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H22N2O4S2/c1-15-4-9-18(10-5-15)28(24,25)22-20-13-8-17(3)14-21(20)23-29(26,27)19-11-6-16(2)7-12-19/h4-14,22-23H,1-3H3
InChIKeyMMNVZLJZTMBSGA-UHFFFAOYSA-N
XLogP4.21
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
N-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide
CID 163208817
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
N-(2-bromo-4-iodophenyl)-4-methylbenzenesulfonamide
CID 114259559
2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 169370457
ethane;methyl 3,4-bis[(4-methylphenyl)sulfonylamino]benzoate
CID 144649558
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide
CID 70139059
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
4-methyl-N-[4-methyl-2-(3-oxoprop-1-ynyl)phenyl]benzenesulfonamide
CID 134866072
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide (CID 1241617) is 4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide?
The InChIKey is MMNVZLJZTMBSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S2/c1-15-4-9-18(10-5-15)28(24,25)22-20-13-8-17(3)14-21(20)23-29(26,27)19-11-6-16(2)7-12-19/h4-14,22-23H,1-3H3.
What are the key properties of 4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide?
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide has a molecular weight of 430.55 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide is sourced from PubChem (CID 1241617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).