2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide

C17H20Cl2N2O4S — CID 7354302

IUPAC2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
SMILESC[C@@H](CCc1ccco1)NC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl
InChIInChI=1S/C17H20Cl2N2O4S/c1-11(6-7-12-5-4-8-25-12)20-17(22)13-9-16(15(19)10-14(13)18)26(23,24)21(2)3/h4-5,8-11H,6-7H2,1-3H3,(H,20,22)/t11-/m0/s1
InChIKeyDKOZMEZXLFVQIM-NSHDSACASA-N
MW419.33 g/mol
LogP3.59
Rot. Bonds7

About 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide

2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide (PubChem CID 7354302) has the molecular formula C17H20Cl2N2O4S and a molecular weight of 419.33 g/mol. Its IUPAC name is 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
PubChem CID7354302
Molecular FormulaC17H20Cl2N2O4S
Molecular Weight419.33 g/mol
Exact Mass418.05
IUPAC Name2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
SMILESC[C@@H](CCc1ccco1)NC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl
InChIInChI=1S/C17H20Cl2N2O4S/c1-11(6-7-12-5-4-8-25-12)20-17(22)13-9-16(15(19)10-14(13)18)26(23,24)21(2)3/h4-5,8-11H,6-7H2,1-3H3,(H,20,22)/t11-/m0/s1
InChIKeyDKOZMEZXLFVQIM-NSHDSACASA-N
XLogP3.59
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 55364133
2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide
CID 79769993
2-chloro-5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)ethyl]benzamide
CID 8916939
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-methyl-5-methylsulfonylbenzamide
CID 39948595
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462
2,3-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 62661107
4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide
CID 115745188
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide
CID 18162458
N-[4-(furan-2-yl)butan-2-yl]-3-methylsulfonylbenzamide
CID 18162440
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420
6-amino-3-chloro-N-[4-(furan-2-yl)butan-2-yl]pyridine-2-carboxamide
CID 62185489

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide (CID 7354302) is 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide is C[C@@H](CCc1ccco1)NC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide?
The InChIKey is DKOZMEZXLFVQIM-NSHDSACASA-N. The full InChI is InChI=1S/C17H20Cl2N2O4S/c1-11(6-7-12-5-4-8-25-12)20-17(22)13-9-16(15(19)10-14(13)18)26(23,24)21(2)3/h4-5,8-11H,6-7H2,1-3H3,(H,20,22)/t11-/m0/s1.
What are the key properties of 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide?
2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide has a molecular weight of 419.33 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide is sourced from PubChem (CID 7354302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).