5-amino-4-chloro-3-ethyl-2-(furan-2-ylmethylamino)-N-sulfonylbenzamide

C14H14ClN3O4S — CID 174640392

IUPAC5-amino-4-chloro-3-ethyl-2-(furan-2-ylmethylamino)-N-sulfonylbenzamide
SMILESCCc1c(Cl)c(N)cc(C(=O)N=S(=O)=O)c1NCc1ccco1
InChIInChI=1S/C14H14ClN3O4S/c1-2-9-12(15)11(16)6-10(14(19)18-23(20)21)13(9)17-7-8-4-3-5-22-8/h3-6,17H,2,7,16H2,1H3
InChIKeyPXWSQESTWFPMKA-UHFFFAOYSA-N
MW355.80 g/mol
LogP2.89
Rot. Bonds5

About 5-amino-4-chloro-3-ethyl-2-(furan-2-ylmethylamino)-N-sulfonylbenzamide

5-amino-4-chloro-3-ethyl-2-(furan-2-ylmethylamino)-N-sulfonylbenzamide (PubChem CID 174640392) has the molecular formula C14H14ClN3O4S and a molecular weight of 355.80 g/mol. Its IUPAC name is 5-amino-4-chloro-3-ethyl-2-(furan-2-ylmethylamino)-N-sulfonylbenzamide.

Molecular Properties

Compound Name5-amino-4-chloro-3-ethyl-2-(furan-2-ylmethylamino)-N-sulfonylbenzamide
PubChem CID174640392
Molecular FormulaC14H14ClN3O4S
Molecular Weight355.80 g/mol
Exact Mass355.04
IUPAC Name5-amino-4-chloro-3-ethyl-2-(furan-2-ylmethylamino)-N-sulfonylbenzamide
SMILESCCc1c(Cl)c(N)cc(C(=O)N=S(=O)=O)c1NCc1ccco1
InChIInChI=1S/C14H14ClN3O4S/c1-2-9-12(15)11(16)6-10(14(19)18-23(20)21)13(9)17-7-8-4-3-5-22-8/h3-6,17H,2,7,16H2,1H3
InChIKeyPXWSQESTWFPMKA-UHFFFAOYSA-N
XLogP2.89
TPSA114.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-chloro-2-(furan-2-ylmethylamino)-3-methyl-N-sulfonylbenzamide
CID 174640393
methyl 3-amino-2-(furan-2-ylmethylamino)benzoate
CID 112577605
4-chloro-3-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)-N-methyl-5-sulfamoylbenzamide
CID 86660780
ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate
CID 1189481
1-[3-(furan-2-ylmethylamino)phenyl]propan-1-one
CID 122234636
2-ethyl-4-N-(furan-2-ylmethyl)-6-methylbenzene-1,4-diamine
CID 91671898
3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 112575697
4-chloro-3-(furan-2-ylmethylamino)benzamide
CID 43679459
4-chloro-2-(furan-2-ylmethylamino)-3-[2-[[(2S)-2-nitrooxypropyl]amino]-2-oxoethyl]-5-sulfamoylbenzoic acid
CID 87667306
4-chloro-3-(furan-2-ylmethylamino)-5-methylsulfonylbenzoic acid
CID 54413007
5,6-diethyl-3-(furan-2-ylmethylamino)pyridazine-4-carboxylic acid
CID 80516258
2-amino-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107073676

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-3-ethyl-2-(furan-2-ylmethylamino)-N-sulfonylbenzamide?
The IUPAC name of 5-amino-4-chloro-3-ethyl-2-(furan-2-ylmethylamino)-N-sulfonylbenzamide (CID 174640392) is 5-amino-4-chloro-3-ethyl-2-(furan-2-ylmethylamino)-N-sulfonylbenzamide.
What is the SMILES notation for 5-amino-4-chloro-3-ethyl-2-(furan-2-ylmethylamino)-N-sulfonylbenzamide?
The canonical SMILES for 5-amino-4-chloro-3-ethyl-2-(furan-2-ylmethylamino)-N-sulfonylbenzamide is CCc1c(Cl)c(N)cc(C(=O)N=S(=O)=O)c1NCc1ccco1.
What is the InChIKey of 5-amino-4-chloro-3-ethyl-2-(furan-2-ylmethylamino)-N-sulfonylbenzamide?
The InChIKey is PXWSQESTWFPMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4S/c1-2-9-12(15)11(16)6-10(14(19)18-23(20)21)13(9)17-7-8-4-3-5-22-8/h3-6,17H,2,7,16H2,1H3.
What are the key properties of 5-amino-4-chloro-3-ethyl-2-(furan-2-ylmethylamino)-N-sulfonylbenzamide?
5-amino-4-chloro-3-ethyl-2-(furan-2-ylmethylamino)-N-sulfonylbenzamide has a molecular weight of 355.80 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-3-ethyl-2-(furan-2-ylmethylamino)-N-sulfonylbenzamide is sourced from PubChem (CID 174640392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).