N-[(4-chlorophenyl)methyl]-1-methyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-sulfonamide

C23H25ClN4O3S — CID 46181923

IUPACN-[(4-chlorophenyl)methyl]-1-methyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(C(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C23H25ClN4O3S/c1-26-16-13-22(25-26)32(30,31)28(17-18-5-9-20(24)10-6-18)21-11-7-19(8-12-21)23(29)27-14-3-2-4-15-27/h5-13,16H,2-4,14-15,17H2,1H3
InChIKeyBAWJTPZXGHQLDL-UHFFFAOYSA-N
MW473.00 g/mol
LogP4.10
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-1-methyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-sulfonamide

N-[(4-chlorophenyl)methyl]-1-methyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-sulfonamide (PubChem CID 46181923) has the molecular formula C23H25ClN4O3S and a molecular weight of 473.00 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-methyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-methyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-sulfonamide
PubChem CID46181923
Molecular FormulaC23H25ClN4O3S
Molecular Weight473.00 g/mol
Exact Mass472.13
IUPAC NameN-[(4-chlorophenyl)methyl]-1-methyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(C(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C23H25ClN4O3S/c1-26-16-13-22(25-26)32(30,31)28(17-18-5-9-20(24)10-6-18)21-11-7-19(8-12-21)23(29)27-14-3-2-4-15-27/h5-13,16H,2-4,14-15,17H2,1H3
InChIKeyBAWJTPZXGHQLDL-UHFFFAOYSA-N
XLogP4.10
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.00
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Smurf1-IN-A01
CID 17555704
[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
CID 2710663
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16322478
4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-(1-methylpyrazol-3-yl)sulfonylbenzamide
CID 145968700
3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
CID 155528441
4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylpyrazol-4-yl)benzamide
CID 147117461
N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzamide
CID 46842632
[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 4856321
N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16323468
4-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
CID 146773032
3-[(4-chlorophenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide
CID 152790957
[4-(4-Methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 16332439

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-methyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-methyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-sulfonamide (CID 46181923) is N-[(4-chlorophenyl)methyl]-1-methyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-methyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-methyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-sulfonamide is Cn1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(C(=O)N3CCCCC3)cc2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-methyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-sulfonamide?
The InChIKey is BAWJTPZXGHQLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3S/c1-26-16-13-22(25-26)32(30,31)28(17-18-5-9-20(24)10-6-18)21-11-7-19(8-12-21)23(29)27-14-3-2-4-15-27/h5-13,16H,2-4,14-15,17H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-methyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-sulfonamide?
N-[(4-chlorophenyl)methyl]-1-methyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-sulfonamide has a molecular weight of 473.00 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-methyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 46181923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).