N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide

C19H23Cl2N5O3S — CID 135375535

IUPACN-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)c(Cl)c4)C3)C2)c1
InChIInChI=1S/C19H23Cl2N5O3S/c1-30(28,29)23-15-9-22-26(11-15)18(27)25-7-5-19(13-25)4-6-24(12-19)10-14-2-3-16(20)17(21)8-14/h2-3,8-9,11,23H,4-7,10,12-13H2,1H3
InChIKeyZRAPYMCEJYUMOM-UHFFFAOYSA-N
MW472.40 g/mol
LogP3.13
Rot. Bonds4

About N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide

N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide (PubChem CID 135375535) has the molecular formula C19H23Cl2N5O3S and a molecular weight of 472.40 g/mol. Its IUPAC name is N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide
PubChem CID135375535
Molecular FormulaC19H23Cl2N5O3S
Molecular Weight472.40 g/mol
Exact Mass471.09
IUPAC NameN-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)c(Cl)c4)C3)C2)c1
InChIInChI=1S/C19H23Cl2N5O3S/c1-30(28,29)23-15-9-22-26(11-15)18(27)25-7-5-19(13-25)4-6-24(12-19)10-14-2-3-16(20)17(21)8-14/h2-3,8-9,11,23H,4-7,10,12-13H2,1H3
InChIKeyZRAPYMCEJYUMOM-UHFFFAOYSA-N
XLogP3.13
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide 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

1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazole-4-carboxamide
CID 139417522
(4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 145316137
[(3aS,6aR)-5-[methyl-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[7-[(3-chloro-5-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[7-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone;[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[7-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 158194331
[7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 139417629
(5R)-2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 73291790
(4-chloropyrazol-1-yl)-[7-[(2-methyl-4-morpholin-4-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 139417575
N-[1-[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide
CID 135375930
[7-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone
CID 145316045
N-methyl-N-[1-[7-[(3-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide
CID 135375590
[2-[(3,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(4-methylpyrazol-1-yl)methanone
CID 145315914
1-[1-[7-[(3,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one
CID 163513441
N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]acetamide;N-[1-[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-4-yl]-N-methylacetamide;iodomethane;methane
CID 162227578

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide (CID 135375535) is N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide is CS(=O)(=O)Nc1cnn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)c(Cl)c4)C3)C2)c1.
What is the InChIKey of N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide?
The InChIKey is ZRAPYMCEJYUMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N5O3S/c1-30(28,29)23-15-9-22-26(11-15)18(27)25-7-5-19(13-25)4-6-24(12-19)10-14-2-3-16(20)17(21)8-14/h2-3,8-9,11,23H,4-7,10,12-13H2,1H3.
What are the key properties of N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide?
N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide has a molecular weight of 472.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide is sourced from PubChem (CID 135375535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).