(NZ)-4-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide

C17H17ClN2O2S3 — CID 16841639

IUPAC(NZ)-4-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
SMILESCCCn1/c(=N/S(=O)(=O)c2ccc(Cl)cc2)sc2cc(SC)ccc21
InChIInChI=1S/C17H17ClN2O2S3/c1-3-10-20-15-9-6-13(23-2)11-16(15)24-17(20)19-25(21,22)14-7-4-12(18)5-8-14/h4-9,11H,3,10H2,1-2H3/b19-17-
InChIKeyGQHLBZYZZPGXKN-ZPHPHTNESA-N
MW412.99 g/mol
LogP4.78
Rot. Bonds5

About (NZ)-4-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide

(NZ)-4-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide (PubChem CID 16841639) has the molecular formula C17H17ClN2O2S3 and a molecular weight of 412.99 g/mol. Its IUPAC name is (NZ)-4-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
PubChem CID16841639
Molecular FormulaC17H17ClN2O2S3
Molecular Weight412.99 g/mol
Exact Mass412.01
IUPAC Name(NZ)-4-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
SMILESCCCn1/c(=N/S(=O)(=O)c2ccc(Cl)cc2)sc2cc(SC)ccc21
InChIInChI=1S/C17H17ClN2O2S3/c1-3-10-20-15-9-6-13(23-2)11-16(15)24-17(20)19-25(21,22)14-7-4-12(18)5-8-14/h4-9,11H,3,10H2,1-2H3/b19-17-
InChIKeyGQHLBZYZZPGXKN-ZPHPHTNESA-N
XLogP4.78
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.99
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40849467
N-[3-(2-methoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 40891760
(NZ)-N-[3-(2-methoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 16937341
4-methyl-N-(6-methylsulfanyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40891763
4-chloro-N-[3-(2-ethoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 40892013
(NZ)-4-chloro-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 16937639
(NZ)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16937128
N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-chlorobenzenesulfonamide
CID 40892005
ethyl 2-[6-chloro-2-(4-chlorophenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate
CID 40892048
(NZ)-N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methoxybenzenesulfonamide
CID 16937445
4-chloro-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40892067
ethyl 2-(4-chlorophenyl)sulfonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate
CID 40892001

Frequently Asked Questions

What is the IUPAC name of (NZ)-4-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The IUPAC name of (NZ)-4-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide (CID 16841639) is (NZ)-4-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide.
What is the SMILES notation for (NZ)-4-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The canonical SMILES for (NZ)-4-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide is CCCn1/c(=N/S(=O)(=O)c2ccc(Cl)cc2)sc2cc(SC)ccc21.
What is the InChIKey of (NZ)-4-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The InChIKey is GQHLBZYZZPGXKN-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H17ClN2O2S3/c1-3-10-20-15-9-6-13(23-2)11-16(15)24-17(20)19-25(21,22)14-7-4-12(18)5-8-14/h4-9,11H,3,10H2,1-2H3/b19-17-.
What are the key properties of (NZ)-4-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
(NZ)-4-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide has a molecular weight of 412.99 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 16841639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).