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

C13H15BrClN3O2S — CID 22208799

IUPACN-[2-(4-bromopyrazol-1-yl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCn2cc(Br)cn2)c(C)cc1Cl
InChIInChI=1S/C13H15BrClN3O2S/c1-9-6-13(10(2)5-12(9)15)21(19,20)17-3-4-18-8-11(14)7-16-18/h5-8,17H,3-4H2,1-2H3
InChIKeyGQUVPMHGGAQVKD-UHFFFAOYSA-N
MW392.71 g/mol
LogP2.89
Rot. Bonds5

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

N-[2-(4-bromopyrazol-1-yl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide (PubChem CID 22208799) has the molecular formula C13H15BrClN3O2S and a molecular weight of 392.71 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide
PubChem CID22208799
Molecular FormulaC13H15BrClN3O2S
Molecular Weight392.71 g/mol
Exact Mass390.98
IUPAC NameN-[2-(4-bromopyrazol-1-yl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCn2cc(Br)cn2)c(C)cc1Cl
InChIInChI=1S/C13H15BrClN3O2S/c1-9-6-13(10(2)5-12(9)15)21(19,20)17-3-4-18-8-11(14)7-16-18/h5-8,17H,3-4H2,1-2H3
InChIKeyGQUVPMHGGAQVKD-UHFFFAOYSA-N
XLogP2.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.71
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 22208789
4-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide
CID 22207456
4-chloro-2,5-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207405
N-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide
CID 22208753
4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 3790089
4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide
CID 19681262
N-[2-(4-bromopyrazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 22208778
4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 3747457
4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 19680922
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide
CID 106996486
2-methoxy-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 99843579
4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide
CID 22204566

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide (CID 22208799) is N-[2-(4-bromopyrazol-1-yl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCCn2cc(Br)cn2)c(C)cc1Cl.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide?
The InChIKey is GQUVPMHGGAQVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O2S/c1-9-6-13(10(2)5-12(9)15)21(19,20)17-3-4-18-8-11(14)7-16-18/h5-8,17H,3-4H2,1-2H3.
What are the key properties of N-[2-(4-bromopyrazol-1-yl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide?
N-[2-(4-bromopyrazol-1-yl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide has a molecular weight of 392.71 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 22208799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).