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

C15H20ClN3O2S — CID 16877072

IUPACN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2nc(C)c(Cl)c2C)cc1C
InChIInChI=1S/C15H20ClN3O2S/c1-10-5-6-14(9-11(10)2)22(20,21)17-7-8-19-13(4)15(16)12(3)18-19/h5-6,9,17H,7-8H2,1-4H3
InChIKeyMVFBMWYTUGHMMI-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.75
Rot. Bonds5

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

N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 16877072) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide
PubChem CID16877072
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2nc(C)c(Cl)c2C)cc1C
InChIInChI=1S/C15H20ClN3O2S/c1-10-5-6-14(9-11(10)2)22(20,21)17-7-8-19-13(4)15(16)12(3)18-19/h5-6,9,17H,7-8H2,1-4H3
InChIKeyMVFBMWYTUGHMMI-UHFFFAOYSA-N
XLogP2.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Hsp90-IN-27
CID 842058
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 6499783
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,4-dimethylbenzenesulfonamide
CID 6499785
3,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 8124894
N-[(4-chloro-1-ethyl-1H-pyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 29089514
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-methylbenzenesulfonamide
CID 6499784
N-[2-(4-chlorophenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5123202
N-[2-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-3,4-dimethyl-benzenesulfonamide
CID 6499786
N-[(4-Chloro-1-methyl-1H-pyrazol-5-YL)methyl]-N-methyl-2-naphthalenesulfonamide
CID 29089515
4-ethyl-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 895190
US9156811, Ddd88580
CID 58561301
N-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-benzenesulfonamide
CID 1078658

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide (CID 16877072) is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCn2nc(C)c(Cl)c2C)cc1C.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is MVFBMWYTUGHMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c1-10-5-6-14(9-11(10)2)22(20,21)17-7-8-19-13(4)15(16)12(3)18-19/h5-6,9,17H,7-8H2,1-4H3.
What are the key properties of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 341.86 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 16877072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).