N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide

C14H10Cl2N2O2S2 — CID 16934005

IUPACN-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1
InChIInChI=1S/C14H10Cl2N2O2S2/c1-8-2-4-9(5-3-8)22(19,20)18-14-17-12-10(15)6-7-11(16)13(12)21-14/h2-7H,1H3,(H,17,18)
InChIKeyBIHFVEAVKZDWCU-UHFFFAOYSA-N
MW373.29 g/mol
LogP4.71
Rot. Bonds3

About N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide

N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide (PubChem CID 16934005) has the molecular formula C14H10Cl2N2O2S2 and a molecular weight of 373.29 g/mol. Its IUPAC name is N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide
PubChem CID16934005
Molecular FormulaC14H10Cl2N2O2S2
Molecular Weight373.29 g/mol
Exact Mass371.96
IUPAC NameN-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1
InChIInChI=1S/C14H10Cl2N2O2S2/c1-8-2-4-9(5-3-8)22(19,20)18-14-17-12-10(15)6-7-11(16)13(12)21-14/h2-7H,1H3,(H,17,18)
InChIKeyBIHFVEAVKZDWCU-UHFFFAOYSA-N
XLogP4.71
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide
CID 16934023
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzenesulfonamide
CID 16934102
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 709425
3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500653
3-[(4-chlorophenyl)sulfonylamino]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 121042912
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 16822993
2-chloro-5-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid
CID 39855236
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 16944802
2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 101150458
N-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylbenzenesulfonamide
CID 110190709
N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide
CID 20930988
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide
CID 3383419

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide (CID 16934005) is N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1.
What is the InChIKey of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is BIHFVEAVKZDWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S2/c1-8-2-4-9(5-3-8)22(19,20)18-14-17-12-10(15)6-7-11(16)13(12)21-14/h2-7H,1H3,(H,17,18).
What are the key properties of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide?
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 373.29 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 16934005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).