N-(5-chloro-2-methoxyphenyl)-1-(4-sulfamoylphenyl)spiro[2.4]heptane-2-carboxamide

C21H23ClN2O4S — CID 72662063

IUPACN-(5-chloro-2-methoxyphenyl)-1-(4-sulfamoylphenyl)spiro[2.4]heptane-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1C(c2ccc(S(N)(=O)=O)cc2)C12CCCC2
InChIInChI=1S/C21H23ClN2O4S/c1-28-17-9-6-14(22)12-16(17)24-20(25)19-18(21(19)10-2-3-11-21)13-4-7-15(8-5-13)29(23,26)27/h4-9,12,18-19H,2-3,10-11H2,1H3,(H,24,25)(H2,23,26,27)
InChIKeyIKZCFKURZZCJHU-UHFFFAOYSA-N
MW434.95 g/mol
LogP3.91
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-1-(4-sulfamoylphenyl)spiro[2.4]heptane-2-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-(4-sulfamoylphenyl)spiro[2.4]heptane-2-carboxamide (PubChem CID 72662063) has the molecular formula C21H23ClN2O4S and a molecular weight of 434.95 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-(4-sulfamoylphenyl)spiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-(4-sulfamoylphenyl)spiro[2.4]heptane-2-carboxamide
PubChem CID72662063
Molecular FormulaC21H23ClN2O4S
Molecular Weight434.95 g/mol
Exact Mass434.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-(4-sulfamoylphenyl)spiro[2.4]heptane-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1C(c2ccc(S(N)(=O)=O)cc2)C12CCCC2
InChIInChI=1S/C21H23ClN2O4S/c1-28-17-9-6-14(22)12-16(17)24-20(25)19-18(21(19)10-2-3-11-21)13-4-7-15(8-5-13)29(23,26)27/h4-9,12,18-19H,2-3,10-11H2,1H3,(H,24,25)(H2,23,26,27)
InChIKeyIKZCFKURZZCJHU-UHFFFAOYSA-N
XLogP3.91
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methoxyphenyl)-1-(4-sulfamoylphenyl)spiro[2.4]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bnc375
CID 118160666
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 2472408
4-[(1S,3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 72734518
4-[3-[(5-Chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 73053248
N-(5-chloro-2-phenoxyphenyl)-3-{4-[(isopropylamino)sulfonyl]phenyl}propanamide
CID 1006992
N-(5-chloro-2-phenoxyphenyl)-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1007780
N-(5-chloro-2-methoxyphenyl)-3-phenylpropanamide
CID 1040166
N-(5-chloro-2-phenoxyphenyl)-3-{4-[(propylamino)sulfonyl]phenyl}propanamide
CID 2205326
N-(5-chloro-2-methoxyphenyl)-3-phenylbutanamide
CID 2916459
N-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 72662005
N-(5-chloro-2-methoxyphenyl)-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 16024496
3-{4-[(tert-butylamino)sulfonyl]phenyl}-N-(5-chloro-2-phenoxyphenyl)propanamide
CID 1007860

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(4-sulfamoylphenyl)spiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(4-sulfamoylphenyl)spiro[2.4]heptane-2-carboxamide (CID 72662063) is N-(5-chloro-2-methoxyphenyl)-1-(4-sulfamoylphenyl)spiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-(4-sulfamoylphenyl)spiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-(4-sulfamoylphenyl)spiro[2.4]heptane-2-carboxamide is COc1ccc(Cl)cc1NC(=O)C1C(c2ccc(S(N)(=O)=O)cc2)C12CCCC2.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-(4-sulfamoylphenyl)spiro[2.4]heptane-2-carboxamide?
The InChIKey is IKZCFKURZZCJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4S/c1-28-17-9-6-14(22)12-16(17)24-20(25)19-18(21(19)10-2-3-11-21)13-4-7-15(8-5-13)29(23,26)27/h4-9,12,18-19H,2-3,10-11H2,1H3,(H,24,25)(H2,23,26,27).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-(4-sulfamoylphenyl)spiro[2.4]heptane-2-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-(4-sulfamoylphenyl)spiro[2.4]heptane-2-carboxamide has a molecular weight of 434.95 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-(4-sulfamoylphenyl)spiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 72662063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).