N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide

C16H22ClN3O2S — CID 22207611

IUPACN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCCn2nc(C)c(Cl)c2C)c1
InChIInChI=1S/C16H22ClN3O2S/c1-11-6-7-12(2)15(10-11)23(21,22)18-8-5-9-20-14(4)16(17)13(3)19-20/h6-7,10,18H,5,8-9H2,1-4H3
InChIKeyYHEPGZBVQFRFJJ-UHFFFAOYSA-N
MW355.89 g/mol
LogP3.14
Rot. Bonds6

About N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide

N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 22207611) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide
PubChem CID22207611
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCCn2nc(C)c(Cl)c2C)c1
InChIInChI=1S/C16H22ClN3O2S/c1-11-6-7-12(2)15(10-11)23(21,22)18-8-5-9-20-14(4)16(17)13(3)19-20/h6-7,10,18H,5,8-9H2,1-4H3
InChIKeyYHEPGZBVQFRFJJ-UHFFFAOYSA-N
XLogP3.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 16877071
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide
CID 22207619
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 22207634
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzamide
CID 19295543
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956
N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide
CID 114008809
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 22771336
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448
2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965080
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide
CID 22207324

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide (CID 22207611) is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCCn2nc(C)c(Cl)c2C)c1.
What is the InChIKey of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is YHEPGZBVQFRFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2S/c1-11-6-7-12(2)15(10-11)23(21,22)18-8-5-9-20-14(4)16(17)13(3)19-20/h6-7,10,18H,5,8-9H2,1-4H3.
What are the key properties of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide?
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 355.89 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 22207611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).