N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide

C20H19ClN2O4S2 — CID 2796859

IUPACN-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)cc2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H19ClN2O4S2/c1-14-3-8-17(9-4-14)28(24,25)22-19-12-5-15(2)13-20(19)23-29(26,27)18-10-6-16(21)7-11-18/h3-13,22-23H,1-2H3
InChIKeyYUTRRPPQSBBIOC-UHFFFAOYSA-N
MW450.97 g/mol
LogP4.56
Rot. Bonds6

About N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide

N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide (PubChem CID 2796859) has the molecular formula C20H19ClN2O4S2 and a molecular weight of 450.97 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
PubChem CID2796859
Molecular FormulaC20H19ClN2O4S2
Molecular Weight450.97 g/mol
Exact Mass450.05
IUPAC NameN-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)cc2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H19ClN2O4S2/c1-14-3-8-17(9-4-14)28(24,25)22-19-12-5-15(2)13-20(19)23-29(26,27)18-10-6-16(21)7-11-18/h3-13,22-23H,1-2H3
InChIKeyYUTRRPPQSBBIOC-UHFFFAOYSA-N
XLogP4.56
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[4-chloro-2-(chloromethyl)phenyl]-4-methylbenzenesulfonamide
CID 163288986
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3761633
N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide
CID 169373249
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169370059
4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
CID 3315949
N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
CID 39875442
4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 28968050
4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride
CID 12750523
4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide
CID 114257249

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide (CID 2796859) is N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide?
The InChIKey is YUTRRPPQSBBIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4S2/c1-14-3-8-17(9-4-14)28(24,25)22-19-12-5-15(2)13-20(19)23-29(26,27)18-10-6-16(21)7-11-18/h3-13,22-23H,1-2H3.
What are the key properties of N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide?
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide has a molecular weight of 450.97 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2796859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).