2-chloro-N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzenesulfonamide

C24H17ClF3N3O3S2 — CID 11753209

IUPAC2-chloro-N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccccc1C(=O)c1cnc(Nc2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2)s1
InChIInChI=1S/C24H17ClF3N3O3S2/c1-14-4-2-3-5-18(14)22(32)20-13-29-23(35-20)30-16-7-9-17(10-8-16)31-36(33,34)21-12-15(24(26,27)28)6-11-19(21)25/h2-13,31H,1H3,(H,29,30)
InChIKeyQOOUHDIYPOLMEB-UHFFFAOYSA-N
MW552.00 g/mol
LogP6.90
Rot. Bonds7

About 2-chloro-N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 11753209) has the molecular formula C24H17ClF3N3O3S2 and a molecular weight of 552.00 g/mol. Its IUPAC name is 2-chloro-N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID11753209
Molecular FormulaC24H17ClF3N3O3S2
Molecular Weight552.00 g/mol
Exact Mass551.04
IUPAC Name2-chloro-N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccccc1C(=O)c1cnc(Nc2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2)s1
InChIInChI=1S/C24H17ClF3N3O3S2/c1-14-4-2-3-5-18(14)22(32)20-13-29-23(35-20)30-16-7-9-17(10-8-16)31-36(33,34)21-12-15(24(26,27)28)6-11-19(21)25/h2-13,31H,1H3,(H,29,30)
InChIKeyQOOUHDIYPOLMEB-UHFFFAOYSA-N
XLogP6.90
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.00
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide
CID 11431608
[2-[4-(aminomethyl)anilino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;2,4-difluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide
CID 87855220
4-chloro-N-[[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide
CID 11397873
(3-methyl-2-pyridinyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone
CID 87869547
[2-[4-(aminomethyl)anilino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]benzamide
CID 87854282
5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide
CID 2101092
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 2447925
N-fluoro-N-[[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide
CID 175246075
[2-[3-(aminomethyl)anilino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;5-chlorothiophene-2-sulfonic acid
CID 174498850
N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 24591375
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide
CID 26965393
2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 35955999

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzenesulfonamide (CID 11753209) is 2-chloro-N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzenesulfonamide is Cc1ccccc1C(=O)c1cnc(Nc2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2)s1.
What is the InChIKey of 2-chloro-N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QOOUHDIYPOLMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N3O3S2/c1-14-4-2-3-5-18(14)22(32)20-13-29-23(35-20)30-16-7-9-17(10-8-16)31-36(33,34)21-12-15(24(26,27)28)6-11-19(21)25/h2-13,31H,1H3,(H,29,30).
What are the key properties of 2-chloro-N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 552.00 g/mol, XLogP of 6.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11753209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).