N-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide

C16H20Cl2N2O3S — CID 33162332

IUPACN-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide
SMILESC[C@]1(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)CC1(Cl)Cl
InChIInChI=1S/C16H20Cl2N2O3S/c1-15(11-16(15,17)18)14(21)20-9-7-12(8-10-20)19-24(22,23)13-5-3-2-4-6-13/h2-6,12,19H,7-11H2,1H3/t15-/m1/s1
InChIKeyUDZCPTYZNVFOID-OAHLLOKOSA-N
MW391.32 g/mol
LogP2.54
Rot. Bonds4

About N-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide

N-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 33162332) has the molecular formula C16H20Cl2N2O3S and a molecular weight of 391.32 g/mol. Its IUPAC name is N-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide
PubChem CID33162332
Molecular FormulaC16H20Cl2N2O3S
Molecular Weight391.32 g/mol
Exact Mass390.06
IUPAC NameN-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide
SMILESC[C@]1(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)CC1(Cl)Cl
InChIInChI=1S/C16H20Cl2N2O3S/c1-15(11-16(15,17)18)14(21)20-9-7-12(8-10-20)19-24(22,23)13-5-3-2-4-6-13/h2-6,12,19H,7-11H2,1H3/t15-/m1/s1
InChIKeyUDZCPTYZNVFOID-OAHLLOKOSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 119276101
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33332472
N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 41470537
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 120984468
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55790604
N-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 41470534
N-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 55690364
N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide
CID 47114532
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide
CID 47017423

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide (CID 33162332) is N-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide is C[C@]1(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)CC1(Cl)Cl.
What is the InChIKey of N-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is UDZCPTYZNVFOID-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3S/c1-15(11-16(15,17)18)14(21)20-9-7-12(8-10-20)19-24(22,23)13-5-3-2-4-6-13/h2-6,12,19H,7-11H2,1H3/t15-/m1/s1.
What are the key properties of N-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide?
N-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 391.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 33162332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).