2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide

C14H14Cl2N2O2S2 — CID 10270918

IUPAC2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C14H14Cl2N2O2S2/c1-8-6-9(15)7-10(16)13(8)22(19,20)18-14-17-11-4-2-3-5-12(11)21-14/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyGWYWMPFCSGCFBJ-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.44
Rot. Bonds3

About 2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide

2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide (PubChem CID 10270918) has the molecular formula C14H14Cl2N2O2S2 and a molecular weight of 377.32 g/mol. Its IUPAC name is 2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
PubChem CID10270918
Molecular FormulaC14H14Cl2N2O2S2
Molecular Weight377.32 g/mol
Exact Mass375.99
IUPAC Name2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C14H14Cl2N2O2S2/c1-8-6-9(15)7-10(16)13(8)22(19,20)18-14-17-11-4-2-3-5-12(11)21-14/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyGWYWMPFCSGCFBJ-UHFFFAOYSA-N
XLogP4.44
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide (CID 10270918) is 2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide is Cc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide?
The InChIKey is GWYWMPFCSGCFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S2/c1-8-6-9(15)7-10(16)13(8)22(19,20)18-14-17-11-4-2-3-5-12(11)21-14/h6-7H,2-5H2,1H3,(H,17,18).
What are the key properties of 2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide?
2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide has a molecular weight of 377.32 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 10270918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).