2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide

C22H25ClN4O3S — CID 46426763

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C22H25ClN4O3S/c1-16-17(15-27(25-16)18-9-5-4-6-10-18)8-7-13-24-22(28)20-14-19(11-12-21(20)23)31(29,30)26(2)3/h4-6,9-12,14-15H,7-8,13H2,1-3H3,(H,24,28)
InChIKeyFSBPZSOLGQPCCK-UHFFFAOYSA-N
MW460.99 g/mol
LogP3.45
Rot. Bonds8

About 2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide

2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide (PubChem CID 46426763) has the molecular formula C22H25ClN4O3S and a molecular weight of 460.99 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
PubChem CID46426763
Molecular FormulaC22H25ClN4O3S
Molecular Weight460.99 g/mol
Exact Mass460.13
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C22H25ClN4O3S/c1-16-17(15-27(25-16)18-9-5-4-6-10-18)8-7-13-24-22(28)20-14-19(11-12-21(20)23)31(29,30)26(2)3/h4-6,9-12,14-15H,7-8,13H2,1-3H3,(H,24,28)
InChIKeyFSBPZSOLGQPCCK-UHFFFAOYSA-N
XLogP3.45
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.99
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000628
4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide
CID 122131967
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide
CID 55933539
3-[4-(diethylsulfamoyl)phenyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide
CID 46473676
N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110356795
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55932656
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55721874
5-chloro-2-methoxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-(tetrazol-1-yl)benzamide
CID 55850404
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide
CID 71685784
2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide
CID 32612809
2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide
CID 110617791
3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 55644256

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide (CID 46426763) is 2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide is Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide?
The InChIKey is FSBPZSOLGQPCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3S/c1-16-17(15-27(25-16)18-9-5-4-6-10-18)8-7-13-24-22(28)20-14-19(11-12-21(20)23)31(29,30)26(2)3/h4-6,9-12,14-15H,7-8,13H2,1-3H3,(H,24,28).
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide has a molecular weight of 460.99 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 46426763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).