N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide

C27H35Cl2FN4O5S2 — CID 11585625

IUPACN-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C27H35Cl2FN4O5S2/c1-40(36,37)33-17-9-20(10-18-33)27(35)34(23-5-8-25(28)26(29)19-23)14-2-13-32-15-11-22(12-16-32)31-41(38,39)24-6-3-21(30)4-7-24/h3-8,19-20,22,31H,2,9-18H2,1H3
InChIKeyZROHYZUVGTZBOE-UHFFFAOYSA-N
MW649.64 g/mol
LogP3.97
Rot. Bonds10

About N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide

N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 11585625) has the molecular formula C27H35Cl2FN4O5S2 and a molecular weight of 649.64 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID11585625
Molecular FormulaC27H35Cl2FN4O5S2
Molecular Weight649.64 g/mol
Exact Mass648.14
IUPAC NameN-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C27H35Cl2FN4O5S2/c1-40(36,37)33-17-9-20(10-18-33)27(35)34(23-5-8-25(28)26(29)19-23)14-2-13-32-15-11-22(12-16-32)31-41(38,39)24-6-3-21(30)4-7-24/h3-8,19-20,22,31H,2,9-18H2,1H3
InChIKeyZROHYZUVGTZBOE-UHFFFAOYSA-N
XLogP3.97
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500649.64
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-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

N-(3,4-dichlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidyl]propyl]piperidine-4-carboxamide
CID 3013701
N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]-1-piperidyl]propyl]-1-methylsulfonyl-piperidine-4-carboxamide
CID 3013689
1-acetyl-N-(3,4-dichlorophenyl)-N-(3-{4-[(4-fluorophenyl)sulfanyl]piperidin-1-yl}propyl)piperidine-4-carboxamide
CID 11505350
1-acetyl-N-(3,4-dichlorophenyl)-N-[3-[4-(4-fluorophenyl)sulfinyl-1-piperidyl]propyl]piperidine-4-carboxamide
CID 11577846
4-Piperidinecarboxamide, N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorobenzoyl)amino]-1-piperidinyl]propyl]-1-(methylsulfonyl)-
CID 11578088
1-acetyl-N-(3,4-dichlorophenyl)-N-(3-{4-[(4-fluorophenyl)sulfonyl]piperidin-1-yl}propyl)piperidine-4-carboxamide
CID 11585418
1-Acetyl-N-(3,4-dichlorophenyl)-N-{3-[4-(4-fluoroanilino)-1-piperidinyl]propyl}-4-piperidinecarboxamide
CID 11693007
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-fluorophenyl)sulfonyl-2-methylpiperazin-1-yl]propyl]piperidine-4-carboxamide
CID 118727180
N-[3-[4-[(4-aminophenyl)methyl]-1-piperidyl]propyl]-N-(3,4-dichlorophenyl)-1-methylsulfonyl-piperidine-4-carboxamide
CID 3013695
N-[3-[4-[(4-acetamidophenyl)methyl]-1-piperidyl]propyl]-N-(3,4-dichlorophenyl)-1-methylsulfonyl-piperidine-4-carboxamide
CID 3013696
N-(3,4-dichlorophenyl)-N-[3-[4-[[4-(methanesulfonamido)phenyl]methyl]-1-piperidyl]propyl]-1-methylsulfonyl-piperidine-4-carboxamide
CID 3013697
N-(3,4-dichlorophenyl)-N-[3-[4-[(4-methylsulfanylphenyl)methyl]-1-piperidyl]propyl]-1-methylsulfonyl-piperidine-4-carboxamide
CID 3013700

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 11585625) is N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is ZROHYZUVGTZBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35Cl2FN4O5S2/c1-40(36,37)33-17-9-20(10-18-33)27(35)34(23-5-8-25(28)26(29)19-23)14-2-13-32-15-11-22(12-16-32)31-41(38,39)24-6-3-21(30)4-7-24/h3-8,19-20,22,31H,2,9-18H2,1H3.
What are the key properties of N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 649.64 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 11585625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).