2-chloro-5-(diethylsulfamoyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide

C19H25ClN2O4S — CID 55364133

IUPAC2-chloro-5-(diethylsulfamoyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)CCc2ccco2)c1
InChIInChI=1S/C19H25ClN2O4S/c1-4-22(5-2)27(24,25)16-10-11-18(20)17(13-16)19(23)21-14(3)8-9-15-7-6-12-26-15/h6-7,10-14H,4-5,8-9H2,1-3H3,(H,21,23)
InChIKeyPQOOZRLUOKVKFT-UHFFFAOYSA-N
MW412.94 g/mol
LogP3.71
Rot. Bonds9

About 2-chloro-5-(diethylsulfamoyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide

2-chloro-5-(diethylsulfamoyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide (PubChem CID 55364133) has the molecular formula C19H25ClN2O4S and a molecular weight of 412.94 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
PubChem CID55364133
Molecular FormulaC19H25ClN2O4S
Molecular Weight412.94 g/mol
Exact Mass412.12
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)CCc2ccco2)c1
InChIInChI=1S/C19H25ClN2O4S/c1-4-22(5-2)27(24,25)16-10-11-18(20)17(13-16)19(23)21-14(3)8-9-15-7-6-12-26-15/h6-7,10-14H,4-5,8-9H2,1-3H3,(H,21,23)
InChIKeyPQOOZRLUOKVKFT-UHFFFAOYSA-N
XLogP3.71
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.94
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2478774
2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 7354302
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-methyl-5-methylsulfonylbenzamide
CID 39948595
2-chloro-5-(diethylsulfamoyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51187743
2-chloro-5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)ethyl]benzamide
CID 8916939
2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 2677242
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462
N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide
CID 18162608
4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide
CID 115745188
N-[4-(furan-2-yl)butan-2-yl]-3-methylsulfonylbenzamide
CID 18162440
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438
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-chloro-5-(diethylsulfamoyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide (CID 55364133) is 2-chloro-5-(diethylsulfamoyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)CCc2ccco2)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The InChIKey is PQOOZRLUOKVKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O4S/c1-4-22(5-2)27(24,25)16-10-11-18(20)17(13-16)19(23)21-14(3)8-9-15-7-6-12-26-15/h6-7,10-14H,4-5,8-9H2,1-3H3,(H,21,23).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide?
2-chloro-5-(diethylsulfamoyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide has a molecular weight of 412.94 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide is sourced from PubChem (CID 55364133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).