4-chloro-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide

C28H21ClN2O2S2 — CID 126211272

IUPAC4-chloro-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide
SMILESCn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)sc1=NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H21ClN2O2S2/c1-31-26(22-14-12-21(13-15-22)20-8-4-2-5-9-20)27(23-10-6-3-7-11-23)34-28(31)30-35(32,33)25-18-16-24(29)17-19-25/h2-19H,1H3
InChIKeyNTPBYNGEYSAXFU-UHFFFAOYSA-N
MW517.08 g/mol
LogP7.03
Rot. Bonds5

About 4-chloro-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide

4-chloro-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide (PubChem CID 126211272) has the molecular formula C28H21ClN2O2S2 and a molecular weight of 517.08 g/mol. Its IUPAC name is 4-chloro-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide
PubChem CID126211272
Molecular FormulaC28H21ClN2O2S2
Molecular Weight517.08 g/mol
Exact Mass516.07
IUPAC Name4-chloro-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide
SMILESCn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)sc1=NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H21ClN2O2S2/c1-31-26(22-14-12-21(13-15-22)20-8-4-2-5-9-20)27(23-10-6-3-7-11-23)34-28(31)30-35(32,33)25-18-16-24(29)17-19-25/h2-19H,1H3
InChIKeyNTPBYNGEYSAXFU-UHFFFAOYSA-N
XLogP7.03
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.08
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 126200501
(3-methyl-4,5-diphenyl-1,3-thiazol-2-ylidene)hydrazine
CID 69115003
N-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide
CID 72581893
N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide
CID 126212127
(NZ)-4-chloro-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16937621
(NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide
CID 16937597
4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide
CID 126201256
N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 3448125
(NZ)-4-chloro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 16937642
4-(4-bromophenyl)-3-methyl-5-phenyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine
CID 87804817
4-chloro-N-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-ylidene]benzenesulfonamide
CID 7214268
N-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide
CID 72581892

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide (CID 126211272) is 4-chloro-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide is Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)sc1=NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide?
The InChIKey is NTPBYNGEYSAXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN2O2S2/c1-31-26(22-14-12-21(13-15-22)20-8-4-2-5-9-20)27(23-10-6-3-7-11-23)34-28(31)30-35(32,33)25-18-16-24(29)17-19-25/h2-19H,1H3.
What are the key properties of 4-chloro-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide?
4-chloro-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide has a molecular weight of 517.08 g/mol, XLogP of 7.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 126211272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).