2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide

C24H19ClF6N2O4S — CID 43872455

IUPAC2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2ccccc2)cc1Cl
InChIInChI=1S/C24H19ClF6N2O4S/c1-37-21-8-7-19(12-20(21)25)38(35,36)33(13-15-5-3-2-4-6-15)14-22(34)32-18-10-16(23(26,27)28)9-17(11-18)24(29,30)31/h2-12H,13-14H2,1H3,(H,32,34)
InChIKeyMXHYKXYAEZMLSS-UHFFFAOYSA-N
MW580.93 g/mol
LogP6.22
Rot. Bonds8

About 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide

2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide (PubChem CID 43872455) has the molecular formula C24H19ClF6N2O4S and a molecular weight of 580.93 g/mol. Its IUPAC name is 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
PubChem CID43872455
Molecular FormulaC24H19ClF6N2O4S
Molecular Weight580.93 g/mol
Exact Mass580.07
IUPAC Name2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2ccccc2)cc1Cl
InChIInChI=1S/C24H19ClF6N2O4S/c1-37-21-8-7-19(12-20(21)25)38(35,36)33(13-15-5-3-2-4-6-15)14-22(34)32-18-10-16(23(26,27)28)9-17(11-18)24(29,30)31/h2-12H,13-14H2,1H3,(H,32,34)
InChIKeyMXHYKXYAEZMLSS-UHFFFAOYSA-N
XLogP6.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.93
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3955191
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 3292626
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 92645661
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 1251344
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2984766
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126086784
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4287672
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide
CID 126393774
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401445
N-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069625
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 3275568
N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 3372862

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide (CID 43872455) is 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2ccccc2)cc1Cl.
What is the InChIKey of 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The InChIKey is MXHYKXYAEZMLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF6N2O4S/c1-37-21-8-7-19(12-20(21)25)38(35,36)33(13-15-5-3-2-4-6-15)14-22(34)32-18-10-16(23(26,27)28)9-17(11-18)24(29,30)31/h2-12H,13-14H2,1H3,(H,32,34).
What are the key properties of 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide has a molecular weight of 580.93 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 43872455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).