(NZ)-5-chloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide

C14H13ClN2O2S3 — CID 16938260

IUPAC(NZ)-5-chloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
SMILESCc1ccc(C)c2c1s/c(=N\S(=O)(=O)c1ccc(Cl)s1)n2C
InChIInChI=1S/C14H13ClN2O2S3/c1-8-4-5-9(2)13-12(8)17(3)14(21-13)16-22(18,19)11-7-6-10(15)20-11/h4-7H,1-3H3/b16-14-
InChIKeyAZKLILJSQWZOOK-PEZBUJJGSA-N
MW372.92 g/mol
LogP3.86
Rot. Bonds2

About (NZ)-5-chloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide

(NZ)-5-chloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide (PubChem CID 16938260) has the molecular formula C14H13ClN2O2S3 and a molecular weight of 372.92 g/mol. Its IUPAC name is (NZ)-5-chloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide.

Molecular Properties

Compound Name(NZ)-5-chloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
PubChem CID16938260
Molecular FormulaC14H13ClN2O2S3
Molecular Weight372.92 g/mol
Exact Mass371.98
IUPAC Name(NZ)-5-chloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
SMILESCc1ccc(C)c2c1s/c(=N\S(=O)(=O)c1ccc(Cl)s1)n2C
InChIInChI=1S/C14H13ClN2O2S3/c1-8-4-5-9(2)13-12(8)17(3)14(21-13)16-22(18,19)11-7-6-10(15)20-11/h4-7H,1-3H3/b16-14-
InChIKeyAZKLILJSQWZOOK-PEZBUJJGSA-N
XLogP3.86
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-5-chlorothiophene-2-sulfonamide
CID 16938352
(NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16937621
(NZ)-5-chloro-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 16841659
5-chloro-N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 40892542
N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892333
2,5-dichloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885241
(NE)-5-chloro-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide
CID 6177119
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide
CID 40885080
5-chloro-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 40892562
N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891793
2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885528
(NZ)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16936965

Frequently Asked Questions

What is the IUPAC name of (NZ)-5-chloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The IUPAC name of (NZ)-5-chloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide (CID 16938260) is (NZ)-5-chloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide.
What is the SMILES notation for (NZ)-5-chloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The canonical SMILES for (NZ)-5-chloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide is Cc1ccc(C)c2c1s/c(=N\S(=O)(=O)c1ccc(Cl)s1)n2C.
What is the InChIKey of (NZ)-5-chloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
The InChIKey is AZKLILJSQWZOOK-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H13ClN2O2S3/c1-8-4-5-9(2)13-12(8)17(3)14(21-13)16-22(18,19)11-7-6-10(15)20-11/h4-7H,1-3H3/b16-14-.
What are the key properties of (NZ)-5-chloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide?
(NZ)-5-chloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide has a molecular weight of 372.92 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-5-chloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide is sourced from PubChem (CID 16938260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).