N-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide

C19H17F2N3O3S2 — CID 87487390

IUPACN-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESCC(C)(NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H17F2N3O3S2/c1-19(2,13-5-8-15(20)16(21)11-13)23-17(25)12-3-6-14(7-4-12)29(26,27)24-18-22-9-10-28-18/h3-11H,1-2H3,(H,22,24)(H,23,25)
InChIKeyAKKCTLUKDUHWBC-UHFFFAOYSA-N
MW437.49 g/mol
LogP3.89
Rot. Bonds6

About N-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide

N-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (PubChem CID 87487390) has the molecular formula C19H17F2N3O3S2 and a molecular weight of 437.49 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
PubChem CID87487390
Molecular FormulaC19H17F2N3O3S2
Molecular Weight437.49 g/mol
Exact Mass437.07
IUPAC NameN-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESCC(C)(NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H17F2N3O3S2/c1-19(2,13-5-8-15(20)16(21)11-13)23-17(25)12-3-6-14(7-4-12)29(26,27)24-18-22-9-10-28-18/h3-11H,1-2H3,(H,22,24)(H,23,25)
InChIKeyAKKCTLUKDUHWBC-UHFFFAOYSA-N
XLogP3.89
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486453
4-(pyridin-4-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
CID 86962252
4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 166217835
2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 146122970
4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 25041464
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487495
N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488149
N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488160
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486353
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2246052
4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide
CID 26289110

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (CID 87487390) is N-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is CC(C)(NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The InChIKey is AKKCTLUKDUHWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3S2/c1-19(2,13-5-8-15(20)16(21)11-13)23-17(25)12-3-6-14(7-4-12)29(26,27)24-18-22-9-10-28-18/h3-11H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
N-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide has a molecular weight of 437.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 87487390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).