N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide

C21H18ClFN2O3S2 — CID 30282664

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C21H18ClFN2O3S2/c22-19-6-1-2-7-20(19)25-30(27,28)18-5-3-4-16(14-18)24-21(26)12-13-29-17-10-8-15(23)9-11-17/h1-11,14,25H,12-13H2,(H,24,26)
InChIKeyBBBWRRGGVIWRBJ-UHFFFAOYSA-N
MW464.97 g/mol
LogP5.40
Rot. Bonds8

About N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 30282664) has the molecular formula C21H18ClFN2O3S2 and a molecular weight of 464.97 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID30282664
Molecular FormulaC21H18ClFN2O3S2
Molecular Weight464.97 g/mol
Exact Mass464.04
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C21H18ClFN2O3S2/c22-19-6-1-2-7-20(19)25-30(27,28)18-5-3-4-16(14-18)24-21(26)12-13-29-17-10-8-15(23)9-11-17/h1-11,14,25H,12-13H2,(H,24,26)
InChIKeyBBBWRRGGVIWRBJ-UHFFFAOYSA-N
XLogP5.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.97
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)butanamide
CID 55921642
3-(4-fluorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9414940
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 126186170
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide
CID 9415219
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-cyclohexylacetamide
CID 29373732
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 26593129
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-6-fluorobenzamide
CID 36717455
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55617002
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 30684834
N-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 55916977
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9068938
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)propanamide
CID 60571618

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide (CID 30282664) is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide is O=C(CCSc1ccc(F)cc1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is BBBWRRGGVIWRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S2/c22-19-6-1-2-7-20(19)25-30(27,28)18-5-3-4-16(14-18)24-21(26)12-13-29-17-10-8-15(23)9-11-17/h1-11,14,25H,12-13H2,(H,24,26).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide?
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 464.97 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 30282664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).