N-(1,3-benzothiazol-2-ylmethyl)-2,3-dichlorobenzenesulfonamide

C14H10Cl2N2O2S2 — CID 32944413

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2,3-dichlorobenzenesulfonamide
SMILESO=S(=O)(NCc1nc2ccccc2s1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2N2O2S2/c15-9-4-3-7-12(14(9)16)22(19,20)17-8-13-18-10-5-1-2-6-11(10)21-13/h1-7,17H,8H2
InChIKeySWNWAKMPJBDJSD-UHFFFAOYSA-N
MW373.29 g/mol
LogP4.08
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-2,3-dichlorobenzenesulfonamide

N-(1,3-benzothiazol-2-ylmethyl)-2,3-dichlorobenzenesulfonamide (PubChem CID 32944413) has the molecular formula C14H10Cl2N2O2S2 and a molecular weight of 373.29 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2,3-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2,3-dichlorobenzenesulfonamide
PubChem CID32944413
Molecular FormulaC14H10Cl2N2O2S2
Molecular Weight373.29 g/mol
Exact Mass371.96
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2,3-dichlorobenzenesulfonamide
SMILESO=S(=O)(NCc1nc2ccccc2s1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2N2O2S2/c15-9-4-3-7-12(14(9)16)22(19,20)17-8-13-18-10-5-1-2-6-11(10)21-13/h1-7,17H,8H2
InChIKeySWNWAKMPJBDJSD-UHFFFAOYSA-N
XLogP4.08
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-4-chloro-2-methylbenzenesulfonamide
CID 39622457
N-(1,3-benzothiazol-2-ylmethyl)-4-bromo-2,6-dichlorobenzenesulfonamide
CID 32944440
N-(1,3-benzothiazol-2-ylmethyl)methanesulfonamide
CID 60681450
N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide
CID 2557871
N-(1,3-benzothiazol-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 32944502
N-(1,3-benzothiazol-2-ylmethyl)-3-chloroaniline
CID 60671297
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dichloroaniline
CID 60671399
2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2127166
N-(1,3-benzothiazol-2-ylmethyl)-2-chloro-4-fluoroaniline
CID 60671832
(1S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(2-chlorophenyl)ethanamine
CID 29054834
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole
CID 32678883
N-(1,3-benzothiazol-2-ylmethyl)-3-(benzylsulfamoyl)-4-methylbenzamide
CID 55380920

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2,3-dichlorobenzenesulfonamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2,3-dichlorobenzenesulfonamide (CID 32944413) is N-(1,3-benzothiazol-2-ylmethyl)-2,3-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2,3-dichlorobenzenesulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2,3-dichlorobenzenesulfonamide is O=S(=O)(NCc1nc2ccccc2s1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2,3-dichlorobenzenesulfonamide?
The InChIKey is SWNWAKMPJBDJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S2/c15-9-4-3-7-12(14(9)16)22(19,20)17-8-13-18-10-5-1-2-6-11(10)21-13/h1-7,17H,8H2.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2,3-dichlorobenzenesulfonamide?
N-(1,3-benzothiazol-2-ylmethyl)-2,3-dichlorobenzenesulfonamide has a molecular weight of 373.29 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2,3-dichlorobenzenesulfonamide is sourced from PubChem (CID 32944413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).