cis-(1R,2S)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylcyclopropane-1-carboxamide

C22H26ClN3O3S — CID 25349683

IUPACcis-(1R,2S)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C22H26ClN3O3S/c1-15-13-17(15)22(27)24-16-9-10-20(26-11-5-2-6-12-26)21(14-16)30(28,29)25-19-8-4-3-7-18(19)23/h3-4,7-10,14-15,17,25H,2,5-6,11-13H2,1H3,(H,24,27)/t15-,17+/m0/s1
InChIKeyXEILDONCPIMFTI-DOTOQJQBSA-N
MW447.99 g/mol
LogP4.73
Rot. Bonds6

About cis-(1R,2S)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 25349683) has the molecular formula C22H26ClN3O3S and a molecular weight of 447.99 g/mol. Its IUPAC name is cis-(1R,2S)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID25349683
Molecular FormulaC22H26ClN3O3S
Molecular Weight447.99 g/mol
Exact Mass447.14
IUPAC Namecis-(1R,2S)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C22H26ClN3O3S/c1-15-13-17(15)22(27)24-16-9-10-20(26-11-5-2-6-12-26)21(14-16)30(28,29)25-19-8-4-3-7-18(19)23/h3-4,7-10,14-15,17,25H,2,5-6,11-13H2,1H3,(H,24,27)/t15-,17+/m0/s1
InChIKeyXEILDONCPIMFTI-DOTOQJQBSA-N
XLogP4.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.99
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide
CID 4008711
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide
CID 42990181
trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 51931889
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4206577
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide
CID 39898875
2-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]quinoline-4-carboxamide
CID 3270456
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]cyclopentanecarboxamide
CID 4837031
2,4,5-trimethoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide
CID 3359599
cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 7762631
trans-(1R,2R)-N-[3-(3-chloro-4-pyrrolidin-1-ylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95294533
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 5040459
2-[(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974405

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylcyclopropane-1-carboxamide (CID 25349683) is cis-(1R,2S)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@H]1C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of cis-(1R,2S)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is XEILDONCPIMFTI-DOTOQJQBSA-N. The full InChI is InChI=1S/C22H26ClN3O3S/c1-15-13-17(15)22(27)24-16-9-10-20(26-11-5-2-6-12-26)21(14-16)30(28,29)25-19-8-4-3-7-18(19)23/h3-4,7-10,14-15,17,25H,2,5-6,11-13H2,1H3,(H,24,27)/t15-,17+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 447.99 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 25349683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).