4-chloro-N,N-diethyl-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzamide

C17H21ClN2O4S — CID 58033695

IUPAC4-chloro-N,N-diethyl-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzamide
SMILESCCN(CC)C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1CCc1ccco1
InChIInChI=1S/C17H21ClN2O4S/c1-3-20(4-2)17(21)14-11-16(25(19,22)23)15(18)10-12(14)7-8-13-6-5-9-24-13/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,19,22,23)
InChIKeyYRPTUZDDGQVBEO-UHFFFAOYSA-N
MW384.89 g/mol
LogP2.85
Rot. Bonds7

About 4-chloro-N,N-diethyl-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzamide

4-chloro-N,N-diethyl-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzamide (PubChem CID 58033695) has the molecular formula C17H21ClN2O4S and a molecular weight of 384.89 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzamide
PubChem CID58033695
Molecular FormulaC17H21ClN2O4S
Molecular Weight384.89 g/mol
Exact Mass384.09
IUPAC Name4-chloro-N,N-diethyl-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzamide
SMILESCCN(CC)C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1CCc1ccco1
InChIInChI=1S/C17H21ClN2O4S/c1-3-20(4-2)17(21)14-11-16(25(19,22)23)15(18)10-12(14)7-8-13-6-5-9-24-13/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,19,22,23)
InChIKeyYRPTUZDDGQVBEO-UHFFFAOYSA-N
XLogP2.85
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

fluoromethyl 4-chloro-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzoate
CID 158900963
benzyl 4-chloro-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzoate
CID 58344447
2,4-dichloro-N,N-diethyl-5-sulfamoylbenzamide
CID 60635894
4-chloro-2-[2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)benzoic acid
CID 162250451
2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide
CID 103614267
2-methoxyethyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 118302031
CID 68522905
CID 68522905
4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl cyanide
CID 141273993
potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride
CID 138402493
3-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-nitrobenzamide
CID 79832071
(1-ethoxy-1-oxopropan-2-yl) 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 155796067
methanethioyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 87081207

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N,N-diethyl-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzamide (CID 58033695) is 4-chloro-N,N-diethyl-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N,N-diethyl-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N,N-diethyl-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzamide is CCN(CC)C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1CCc1ccco1.
What is the InChIKey of 4-chloro-N,N-diethyl-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzamide?
The InChIKey is YRPTUZDDGQVBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4S/c1-3-20(4-2)17(21)14-11-16(25(19,22)23)15(18)10-12(14)7-8-13-6-5-9-24-13/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,19,22,23).
What are the key properties of 4-chloro-N,N-diethyl-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzamide?
4-chloro-N,N-diethyl-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzamide has a molecular weight of 384.89 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 58033695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).