N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide

C20H14Cl2N2O2S2 — CID 46392568

IUPACN-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(Cl)cc4s3)c(Cl)c2)cc1
InChIInChI=1S/C20H14Cl2N2O2S2/c1-12-2-6-15(7-3-12)28(25,26)24-14-5-8-16(17(22)11-14)20-23-18-9-4-13(21)10-19(18)27-20/h2-11,24H,1H3
InChIKeyNRCKJQFHWTUVHC-UHFFFAOYSA-N
MW449.38 g/mol
LogP6.38
Rot. Bonds4

About N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide

N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 46392568) has the molecular formula C20H14Cl2N2O2S2 and a molecular weight of 449.38 g/mol. Its IUPAC name is N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID46392568
Molecular FormulaC20H14Cl2N2O2S2
Molecular Weight449.38 g/mol
Exact Mass447.99
IUPAC NameN-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(Cl)cc4s3)c(Cl)c2)cc1
InChIInChI=1S/C20H14Cl2N2O2S2/c1-12-2-6-15(7-3-12)28(25,26)24-14-5-8-16(17(22)11-14)20-23-18-9-4-13(21)10-19(18)27-20/h2-11,24H,1H3
InChIKeyNRCKJQFHWTUVHC-UHFFFAOYSA-N
XLogP6.38
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.38
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 46392543
N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 46392575
N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1H-imidazole-5-sulfonamide
CID 50835429
N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-4-propylbenzenesulfonamide
CID 46392507
N-[3-chloro-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 46392544
N-[3-chloro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 46392562
4-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 50839978
4-acetyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 46392649
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 46392721
2-[(4-chlorophenyl)sulfonylamino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 25036137
N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 46392729

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide (CID 46392568) is N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(Cl)cc4s3)c(Cl)c2)cc1.
What is the InChIKey of N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is NRCKJQFHWTUVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O2S2/c1-12-2-6-15(7-3-12)28(25,26)24-14-5-8-16(17(22)11-14)20-23-18-9-4-13(21)10-19(18)27-20/h2-11,24H,1H3.
What are the key properties of N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide?
N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 449.38 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 46392568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).