N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(methylsulfonylmethyl)benzamide

C21H18ClFN2O5S2 — CID 55679771

IUPACN-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1cccc(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C21H18ClFN2O5S2/c1-31(27,28)13-14-5-4-6-15(11-14)21(26)24-19-12-16(22)9-10-18(19)25-32(29,30)20-8-3-2-7-17(20)23/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyUXRLLQPKZUCPND-UHFFFAOYSA-N
MW496.97 g/mol
LogP4.08
Rot. Bonds7

About N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(methylsulfonylmethyl)benzamide

N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(methylsulfonylmethyl)benzamide (PubChem CID 55679771) has the molecular formula C21H18ClFN2O5S2 and a molecular weight of 496.97 g/mol. Its IUPAC name is N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(methylsulfonylmethyl)benzamide
PubChem CID55679771
Molecular FormulaC21H18ClFN2O5S2
Molecular Weight496.97 g/mol
Exact Mass496.03
IUPAC NameN-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1cccc(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C21H18ClFN2O5S2/c1-31(27,28)13-14-5-4-6-15(11-14)21(26)24-19-12-16(22)9-10-18(19)25-32(29,30)20-8-3-2-7-17(20)23/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyUXRLLQPKZUCPND-UHFFFAOYSA-N
XLogP4.08
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.97
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667525
4-chloro-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-N-propylbenzamide
CID 55895232
N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27838781
3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572209
3-chloro-N-[2-fluoro-4-[(2-fluorophenyl)sulfamoyl]phenyl]benzamide
CID 18892781
N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 38872398
N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide
CID 51149042
N-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide
CID 39344896
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 26584389
N-(5-chloro-2-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 81241185
N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726
N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(methylsulfonylmethyl)benzamide (CID 55679771) is N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(methylsulfonylmethyl)benzamide is CS(=O)(=O)Cc1cccc(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)c1.
What is the InChIKey of N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(methylsulfonylmethyl)benzamide?
The InChIKey is UXRLLQPKZUCPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O5S2/c1-31(27,28)13-14-5-4-6-15(11-14)21(26)24-19-12-16(22)9-10-18(19)25-32(29,30)20-8-3-2-7-17(20)23/h2-12,25H,13H2,1H3,(H,24,26).
What are the key properties of N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(methylsulfonylmethyl)benzamide?
N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(methylsulfonylmethyl)benzamide has a molecular weight of 496.97 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 55679771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).