(NZ)-5-chloro-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide

C14H11Cl3N2O3S3 — CID 16841659

IUPAC(NZ)-5-chloro-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
SMILESCOCCn1/c(=N/S(=O)(=O)c2ccc(Cl)s2)sc2c(Cl)ccc(Cl)c21
InChIInChI=1S/C14H11Cl3N2O3S3/c1-22-7-6-19-12-8(15)2-3-9(16)13(12)24-14(19)18-25(20,21)11-5-4-10(17)23-11/h2-5H,6-7H2,1H3/b18-14-
InChIKeyGHEULAURVDOJGQ-JXAWBTAJSA-N
MW457.81 g/mol
LogP4.66
Rot. Bonds5

About (NZ)-5-chloro-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide

(NZ)-5-chloro-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide (PubChem CID 16841659) has the molecular formula C14H11Cl3N2O3S3 and a molecular weight of 457.81 g/mol. Its IUPAC name is (NZ)-5-chloro-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide.

Molecular Properties

Compound Name(NZ)-5-chloro-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
PubChem CID16841659
Molecular FormulaC14H11Cl3N2O3S3
Molecular Weight457.81 g/mol
Exact Mass455.90
IUPAC Name(NZ)-5-chloro-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
SMILESCOCCn1/c(=N/S(=O)(=O)c2ccc(Cl)s2)sc2c(Cl)ccc(Cl)c21
InChIInChI=1S/C14H11Cl3N2O3S3/c1-22-7-6-19-12-8(15)2-3-9(16)13(12)24-14(19)18-25(20,21)11-5-4-10(17)23-11/h2-5H,6-7H2,1H3/b18-14-
InChIKeyGHEULAURVDOJGQ-JXAWBTAJSA-N
XLogP4.66
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.81
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 40892542
N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 40849516
5-chloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 40892645
5-chloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 40892552
N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 121055405
3-(benzenesulfonyl)-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide
CID 42387914
5-chloro-N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 40892574
(NZ)-5-chloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938260
4-[(4-chlorophenyl)sulfonylamino]-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 121044955
5-chloro-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 40892562
N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045370
(NZ)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 16938057

Frequently Asked Questions

What is the IUPAC name of (NZ)-5-chloro-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide?
The IUPAC name of (NZ)-5-chloro-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide (CID 16841659) is (NZ)-5-chloro-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide.
What is the SMILES notation for (NZ)-5-chloro-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide?
The canonical SMILES for (NZ)-5-chloro-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide is COCCn1/c(=N/S(=O)(=O)c2ccc(Cl)s2)sc2c(Cl)ccc(Cl)c21.
What is the InChIKey of (NZ)-5-chloro-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide?
The InChIKey is GHEULAURVDOJGQ-JXAWBTAJSA-N. The full InChI is InChI=1S/C14H11Cl3N2O3S3/c1-22-7-6-19-12-8(15)2-3-9(16)13(12)24-14(19)18-25(20,21)11-5-4-10(17)23-11/h2-5H,6-7H2,1H3/b18-14-.
What are the key properties of (NZ)-5-chloro-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide?
(NZ)-5-chloro-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide has a molecular weight of 457.81 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-5-chloro-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide is sourced from PubChem (CID 16841659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).