4-chloro-2-(furan-2-ylmethylamino)-N,N-dimethyl-5-(methylsulfamoyl)benzamide

C15H18ClN3O4S — CID 155452035

IUPAC4-chloro-2-(furan-2-ylmethylamino)-N,N-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N(C)C)NCC2=CC=CO2)Cl
InChIInChI=1S/C15H18ClN3O4S/c1-17-24(21,22)14-7-11(15(20)19(2)3)13(8-12(14)16)18-9-10-5-4-6-23-10/h4-8,17-18H,9H2,1-3H3
InChIKeyZAYXYSXXUSKOQO-UHFFFAOYSA-N
MW371.80 g/mol
LogP2.40
Rot. Bonds6

About 4-chloro-2-(furan-2-ylmethylamino)-N,N-dimethyl-5-(methylsulfamoyl)benzamide

4-chloro-2-(furan-2-ylmethylamino)-N,N-dimethyl-5-(methylsulfamoyl)benzamide (PubChem CID 155452035) has the molecular formula C15H18ClN3O4S and a molecular weight of 371.80 g/mol. Its IUPAC name is 4-chloro-2-(furan-2-ylmethylamino)-N,N-dimethyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-(furan-2-ylmethylamino)-N,N-dimethyl-5-(methylsulfamoyl)benzamide
PubChem CID155452035
Molecular FormulaC15H18ClN3O4S
Molecular Weight371.80 g/mol
Exact Mass371.07
IUPAC Name4-chloro-2-(furan-2-ylmethylamino)-N,N-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N(C)C)NCC2=CC=CO2)Cl
InChIInChI=1S/C15H18ClN3O4S/c1-17-24(21,22)14-7-11(15(20)19(2)3)13(8-12(14)16)18-9-10-5-4-6-23-10/h4-8,17-18H,9H2,1-3H3
InChIKeyZAYXYSXXUSKOQO-UHFFFAOYSA-N
XLogP2.40
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity537

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Furosemide
CID 3440
4-Chloro-2-[(furan-2-ylmethyl)ammonio]-5-sulfamoylbenzoate
CID 118985385
2-chloro-N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2565072
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 3271562
Sodium furosemide
CID 23673593
N-(2-furylmethyl)-2-{[N-(2-methylphenyl)-N-(phenylsulfonyl)glycyl]amino}benzamide
CID 1316030
4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-methoxyphenyl)benzamide
CID 2087030
2-chloro-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2106784
3-[(3-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 2396097
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2450838
N-[2-[(2-furanylmethylamino)-oxomethyl]phenyl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide
CID 2953887
1-ethyl-N-(2-furylmethyl)-6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 3236790

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(furan-2-ylmethylamino)-N,N-dimethyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-2-(furan-2-ylmethylamino)-N,N-dimethyl-5-(methylsulfamoyl)benzamide (CID 155452035) is 4-chloro-2-(furan-2-ylmethylamino)-N,N-dimethyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-2-(furan-2-ylmethylamino)-N,N-dimethyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-2-(furan-2-ylmethylamino)-N,N-dimethyl-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N(C)C)NCC2=CC=CO2)Cl.
What is the InChIKey of 4-chloro-2-(furan-2-ylmethylamino)-N,N-dimethyl-5-(methylsulfamoyl)benzamide?
The InChIKey is ZAYXYSXXUSKOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O4S/c1-17-24(21,22)14-7-11(15(20)19(2)3)13(8-12(14)16)18-9-10-5-4-6-23-10/h4-8,17-18H,9H2,1-3H3.
What are the key properties of 4-chloro-2-(furan-2-ylmethylamino)-N,N-dimethyl-5-(methylsulfamoyl)benzamide?
4-chloro-2-(furan-2-ylmethylamino)-N,N-dimethyl-5-(methylsulfamoyl)benzamide has a molecular weight of 371.80 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(furan-2-ylmethylamino)-N,N-dimethyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 155452035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).