N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide

C19H19ClN2O2S2 — CID 108784185

IUPACN-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C19H19ClN2O2S2/c1-2-3-11-26(23,24)22-15-8-6-7-14(12-15)18-13-25-19(21-18)16-9-4-5-10-17(16)20/h4-10,12-13,22H,2-3,11H2,1H3
InChIKeyOPZQMMAYXNMQPQ-UHFFFAOYSA-N
MW406.96 g/mol
LogP5.67
Rot. Bonds7

About N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide

N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide (PubChem CID 108784185) has the molecular formula C19H19ClN2O2S2 and a molecular weight of 406.96 g/mol. Its IUPAC name is N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide
PubChem CID108784185
Molecular FormulaC19H19ClN2O2S2
Molecular Weight406.96 g/mol
Exact Mass406.06
IUPAC NameN-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C19H19ClN2O2S2/c1-2-3-11-26(23,24)22-15-8-6-7-14(12-15)18-13-25-19(21-18)16-9-4-5-10-17(16)20/h4-10,12-13,22H,2-3,11H2,1H3
InChIKeyOPZQMMAYXNMQPQ-UHFFFAOYSA-N
XLogP5.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.96
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide 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

N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide
CID 110284947
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 108784195
2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 108748311
2-ethylhexyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate
CID 108748322
2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108770274
2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide
CID 122286241
2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate
CID 108748316
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide
CID 108780480
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide
CID 108782465
2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108748313
3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286270
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide
CID 110284946

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide?
The IUPAC name of N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide (CID 108784185) is N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1.
What is the InChIKey of N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide?
The InChIKey is OPZQMMAYXNMQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S2/c1-2-3-11-26(23,24)22-15-8-6-7-14(12-15)18-13-25-19(21-18)16-9-4-5-10-17(16)20/h4-10,12-13,22H,2-3,11H2,1H3.
What are the key properties of N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide?
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide has a molecular weight of 406.96 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide is sourced from PubChem (CID 108784185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).