N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide

C16H12Cl2N2O2S2 — CID 10572991

IUPACN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1
InChIInChI=1S/C16H12Cl2N2O2S2/c1-10-2-5-12(6-3-10)24(21,22)20-16-19-15(9-23-16)11-4-7-13(17)14(18)8-11/h2-9H,1H3,(H,19,20)
InChIKeyBIFVAKUCWOQMRB-UHFFFAOYSA-N
MW399.32 g/mol
LogP5.23
Rot. Bonds4

About N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide (PubChem CID 10572991) has the molecular formula C16H12Cl2N2O2S2 and a molecular weight of 399.32 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
PubChem CID10572991
Molecular FormulaC16H12Cl2N2O2S2
Molecular Weight399.32 g/mol
Exact Mass397.97
IUPAC NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1
InChIInChI=1S/C16H12Cl2N2O2S2/c1-10-2-5-12(6-3-10)24(21,22)20-16-19-15(9-23-16)11-4-7-13(17)14(18)8-11/h2-9H,1H3,(H,19,20)
InChIKeyBIFVAKUCWOQMRB-UHFFFAOYSA-N
XLogP5.23
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.32
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4-(3,4-dichlorophenyl)thiazole
CID 618536
4-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 897841
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 748055
3,4-Dichloro-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamide
CID 10526613
N-[4-(4-Chloro-phenyl)-thiazol-2-yl]-4-methyl-benzenesulfonamide
CID 10666499
5-(Benzenesulfonyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 1488905
2-(2-Chlorophenyl)-4-[2,3-dichloro-4-(ethylsulfonyl)phenyl]-1,3-thiazole
CID 4303837
4-[2,3-Dichloro-4-(ethylsulfonyl)phenyl]-2-phenyl-1,3-thiazole
CID 5101807
N-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 73333288
2-[(Tert-butylsulfonyl)methyl]-4-(3,4-dichlorophenyl)-1,3-thiazole
CID 2742366
4-methyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonohydrazide
CID 1497801
2-Amino-4-[4-(methylsulfonyl)phenyl]thiazole
CID 2759531

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide (CID 10572991) is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is BIFVAKUCWOQMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2S2/c1-10-2-5-12(6-3-10)24(21,22)20-16-19-15(9-23-16)11-4-7-13(17)14(18)8-11/h2-9H,1H3,(H,19,20).
What are the key properties of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 399.32 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10572991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).