4-chloro-N-ethyl-2-(furan-2-ylmethylamino)-N-sulfamoylbenzamide

C14H16ClN3O4S — CID 123907571

IUPAC4-chloro-N-ethyl-2-(furan-2-ylmethylamino)-N-sulfamoylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)cc1NCc1ccco1)S(N)(=O)=O
InChIInChI=1S/C14H16ClN3O4S/c1-2-18(23(16,20)21)14(19)12-6-5-10(15)8-13(12)17-9-11-4-3-7-22-11/h3-8,17H,2,9H2,1H3,(H2,16,20,21)
InChIKeyYIBNMCUKSKJNBM-UHFFFAOYSA-N
MW357.82 g/mol
LogP2.21
Rot. Bonds6

About 4-chloro-N-ethyl-2-(furan-2-ylmethylamino)-N-sulfamoylbenzamide

4-chloro-N-ethyl-2-(furan-2-ylmethylamino)-N-sulfamoylbenzamide (PubChem CID 123907571) has the molecular formula C14H16ClN3O4S and a molecular weight of 357.82 g/mol. Its IUPAC name is 4-chloro-N-ethyl-2-(furan-2-ylmethylamino)-N-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-2-(furan-2-ylmethylamino)-N-sulfamoylbenzamide
PubChem CID123907571
Molecular FormulaC14H16ClN3O4S
Molecular Weight357.82 g/mol
Exact Mass357.06
IUPAC Name4-chloro-N-ethyl-2-(furan-2-ylmethylamino)-N-sulfamoylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)cc1NCc1ccco1)S(N)(=O)=O
InChIInChI=1S/C14H16ClN3O4S/c1-2-18(23(16,20)21)14(19)12-6-5-10(15)8-13(12)17-9-11-4-3-7-22-11/h3-8,17H,2,9H2,1H3,(H2,16,20,21)
InChIKeyYIBNMCUKSKJNBM-UHFFFAOYSA-N
XLogP2.21
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 68522905
CID 68522905
2,5-dichloro-N-(furan-2-ylmethyl)aniline
CID 18778634
potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride
CID 138402493
2-methoxyethyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 118302031
(1-ethoxy-1-oxopropan-2-yl) 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 155796067
4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl cyanide
CID 141273993
2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 66419013
4-chloro-3-(furan-2-ylmethylamino)-5-methylsulfonylbenzoic acid
CID 54413007
methanethioyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 87081207
S-[3-(dimethylamino)propyl] 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenecarbothioate
CID 46853545
4-chloro-2-[furan-2-ylmethyl(sulfamoyl)amino]benzoic acid
CID 154138860
3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide
CID 54867068

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-2-(furan-2-ylmethylamino)-N-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-ethyl-2-(furan-2-ylmethylamino)-N-sulfamoylbenzamide (CID 123907571) is 4-chloro-N-ethyl-2-(furan-2-ylmethylamino)-N-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-ethyl-2-(furan-2-ylmethylamino)-N-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-ethyl-2-(furan-2-ylmethylamino)-N-sulfamoylbenzamide is CCN(C(=O)c1ccc(Cl)cc1NCc1ccco1)S(N)(=O)=O.
What is the InChIKey of 4-chloro-N-ethyl-2-(furan-2-ylmethylamino)-N-sulfamoylbenzamide?
The InChIKey is YIBNMCUKSKJNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O4S/c1-2-18(23(16,20)21)14(19)12-6-5-10(15)8-13(12)17-9-11-4-3-7-22-11/h3-8,17H,2,9H2,1H3,(H2,16,20,21).
What are the key properties of 4-chloro-N-ethyl-2-(furan-2-ylmethylamino)-N-sulfamoylbenzamide?
4-chloro-N-ethyl-2-(furan-2-ylmethylamino)-N-sulfamoylbenzamide has a molecular weight of 357.82 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-2-(furan-2-ylmethylamino)-N-sulfamoylbenzamide is sourced from PubChem (CID 123907571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).