4-chloro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-sulfamoylbenzamide

C16H16ClN3O4S — CID 9395667

IUPAC4-chloro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-sulfamoylbenzamide
SMILESC[C@H]1C[C@@H]1c1ccc(/C=N\NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)o1
InChIInChI=1S/C16H16ClN3O4S/c1-9-6-12(9)14-5-3-11(24-14)8-19-20-16(21)10-2-4-13(17)15(7-10)25(18,22)23/h2-5,7-9,12H,6H2,1H3,(H,20,21)(H2,18,22,23)/b19-8-/t9-,12-/m0/s1
InChIKeyFNIIGFOUISVRGF-MOSBXJRMSA-N
MW381.84 g/mol
LogP2.47
Rot. Bonds5

About 4-chloro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-sulfamoylbenzamide

4-chloro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-sulfamoylbenzamide (PubChem CID 9395667) has the molecular formula C16H16ClN3O4S and a molecular weight of 381.84 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-sulfamoylbenzamide
PubChem CID9395667
Molecular FormulaC16H16ClN3O4S
Molecular Weight381.84 g/mol
Exact Mass381.06
IUPAC Name4-chloro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-sulfamoylbenzamide
SMILESC[C@H]1C[C@@H]1c1ccc(/C=N\NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)o1
InChIInChI=1S/C16H16ClN3O4S/c1-9-6-12(9)14-5-3-11(24-14)8-19-20-16(21)10-2-4-13(17)15(7-10)25(18,22)23/h2-5,7-9,12H,6H2,1H3,(H,20,21)(H2,18,22,23)/b19-8-/t9-,12-/m0/s1
InChIKeyFNIIGFOUISVRGF-MOSBXJRMSA-N
XLogP2.47
TPSA114.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9391276
4-fluoro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9390659
3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9391704
N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 9390561
4-amino-3,5,6-trichloro-N-[(E)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-1-ium-2-carboxamide
CID 135590406
3-methoxy-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9396622
4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 9395129
tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate
CID 9391101
N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-(phenoxymethyl)benzamide
CID 9391848
4-chloro-N-[(E)-octylideneamino]-3-sulfamoylbenzamide
CID 10247913
4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide
CID 135582522
4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-sulfamoylbenzamide (CID 9395667) is 4-chloro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-sulfamoylbenzamide is C[C@H]1C[C@@H]1c1ccc(/C=N\NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)o1.
What is the InChIKey of 4-chloro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-sulfamoylbenzamide?
The InChIKey is FNIIGFOUISVRGF-MOSBXJRMSA-N. The full InChI is InChI=1S/C16H16ClN3O4S/c1-9-6-12(9)14-5-3-11(24-14)8-19-20-16(21)10-2-4-13(17)15(7-10)25(18,22)23/h2-5,7-9,12H,6H2,1H3,(H,20,21)(H2,18,22,23)/b19-8-/t9-,12-/m0/s1.
What are the key properties of 4-chloro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-sulfamoylbenzamide?
4-chloro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-sulfamoylbenzamide has a molecular weight of 381.84 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-sulfamoylbenzamide is sourced from PubChem (CID 9395667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).