3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide

C21H22ClN3O4S — CID 25496186

IUPAC3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
SMILESCN(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccco1
InChIInChI=1S/C21H22ClN3O4S/c1-25(2)19(20-10-5-11-29-20)14-23-21(26)15-6-3-9-18(12-15)30(27,28)24-17-8-4-7-16(22)13-17/h3-13,19,24H,14H2,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyHAQMZDPDJKWFFA-IBGZPJMESA-N
MW447.94 g/mol
LogP3.77
Rot. Bonds8

About 3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide

3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide (PubChem CID 25496186) has the molecular formula C21H22ClN3O4S and a molecular weight of 447.94 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
PubChem CID25496186
Molecular FormulaC21H22ClN3O4S
Molecular Weight447.94 g/mol
Exact Mass447.10
IUPAC Name3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
SMILESCN(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccco1
InChIInChI=1S/C21H22ClN3O4S/c1-25(2)19(20-10-5-11-29-20)14-23-21(26)15-6-3-9-18(12-15)30(27,28)24-17-8-4-7-16(22)13-17/h3-13,19,24H,14H2,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyHAQMZDPDJKWFFA-IBGZPJMESA-N
XLogP3.77
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.94
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25374826
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24542679
3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 24981861
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 24542683
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55332159
3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25353255
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 30260374
3-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 61250548
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide
CID 51145107
3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 134058784
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 4803620

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide (CID 25496186) is 3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide is CN(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccco1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The InChIKey is HAQMZDPDJKWFFA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22ClN3O4S/c1-25(2)19(20-10-5-11-29-20)14-23-21(26)15-6-3-9-18(12-15)30(27,28)24-17-8-4-7-16(22)13-17/h3-13,19,24H,14H2,1-2H3,(H,23,26)/t19-/m0/s1.
What are the key properties of 3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide has a molecular weight of 447.94 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 25496186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).