4-(4-chlorophenyl)sulfonyl-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide

C18H15Cl3N2O3S2 — CID 25407651

IUPAC4-(4-chlorophenyl)sulfonyl-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide
SMILESCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)sc2ccc(Cl)c(Cl)c21
InChIInChI=1S/C18H15Cl3N2O3S2/c1-23-17-14(9-8-13(20)16(17)21)27-18(23)22-15(24)3-2-10-28(25,26)12-6-4-11(19)5-7-12/h4-9H,2-3,10H2,1H3/b22-18-
InChIKeyQQRPBICLZQQANZ-PYCFMQQDSA-N
MW477.82 g/mol
LogP4.88
Rot. Bonds5

About 4-(4-chlorophenyl)sulfonyl-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide

4-(4-chlorophenyl)sulfonyl-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide (PubChem CID 25407651) has the molecular formula C18H15Cl3N2O3S2 and a molecular weight of 477.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide
PubChem CID25407651
Molecular FormulaC18H15Cl3N2O3S2
Molecular Weight477.82 g/mol
Exact Mass475.96
IUPAC Name4-(4-chlorophenyl)sulfonyl-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide
SMILESCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)sc2ccc(Cl)c(Cl)c21
InChIInChI=1S/C18H15Cl3N2O3S2/c1-23-17-14(9-8-13(20)16(17)21)27-18(23)22-15(24)3-2-10-28(25,26)12-6-4-11(19)5-7-12/h4-9H,2-3,10H2,1H3/b22-18-
InChIKeyQQRPBICLZQQANZ-PYCFMQQDSA-N
XLogP4.88
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.82
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenyl)sulfonyl-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chlorophenyl)sulfonyl-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)butanamide
CID 25407615
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-chlorophenyl)sulfonylbutanamide
CID 25407765
N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide
CID 41087476
N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41087357
4-(4-chlorophenyl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)butanamide
CID 25407614
4-(benzenesulfonyl)-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)butanamide
CID 41087126
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide
CID 41087472
N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfonylpropanamide
CID 40951683
3-(4-chlorophenyl)sulfonyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
CID 40951686
3-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7519883
4-(4-chlorophenyl)sulfonyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide
CID 25407737
methyl 2-[6-chloro-2-[4-(4-chlorophenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]acetate
CID 25407710

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide (CID 25407651) is 4-(4-chlorophenyl)sulfonyl-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide is Cn1/c(=N/C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)sc2ccc(Cl)c(Cl)c21.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide?
The InChIKey is QQRPBICLZQQANZ-PYCFMQQDSA-N. The full InChI is InChI=1S/C18H15Cl3N2O3S2/c1-23-17-14(9-8-13(20)16(17)21)27-18(23)22-15(24)3-2-10-28(25,26)12-6-4-11(19)5-7-12/h4-9H,2-3,10H2,1H3/b22-18-.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide?
4-(4-chlorophenyl)sulfonyl-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide has a molecular weight of 477.82 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide is sourced from PubChem (CID 25407651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).