N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide

C19H15Cl2NO4S2 — CID 1089389

IUPACN-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H15Cl2NO4S2/c1-13-2-9-18(27(23,24)17-10-5-15(21)6-11-17)12-19(13)28(25,26)22-16-7-3-14(20)4-8-16/h2-12,22H,1H3
InChIKeyWSXNEBHYPMMRLR-UHFFFAOYSA-N
MW456.37 g/mol
LogP4.94
Rot. Bonds5

About N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide

N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide (PubChem CID 1089389) has the molecular formula C19H15Cl2NO4S2 and a molecular weight of 456.37 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide
PubChem CID1089389
Molecular FormulaC19H15Cl2NO4S2
Molecular Weight456.37 g/mol
Exact Mass454.98
IUPAC NameN-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H15Cl2NO4S2/c1-13-2-9-18(27(23,24)17-10-5-15(21)6-11-17)12-19(13)28(25,26)22-16-7-3-14(20)4-8-16/h2-12,22H,1H3
InChIKeyWSXNEBHYPMMRLR-UHFFFAOYSA-N
XLogP4.94
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.37
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 877222
1,3-bis[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]urea
CID 90145577
2-[[5-(4-chlorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]propanoate
CID 78554929
(2S)-2-[[5-(4-chlorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]propanoic acid
CID 992315
5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 57430116
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
CID 9243824
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 24538035
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide (CID 1089389) is N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide?
The InChIKey is WSXNEBHYPMMRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO4S2/c1-13-2-9-18(27(23,24)17-10-5-15(21)6-11-17)12-19(13)28(25,26)22-16-7-3-14(20)4-8-16/h2-12,22H,1H3.
What are the key properties of N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide?
N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide has a molecular weight of 456.37 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 1089389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).