2-chloro-5-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide

C12H11ClN4O2S — CID 104919359

IUPAC2-chloro-5-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(C#N)ccc1Cl)c1cn[nH]c1
InChIInChI=1S/C12H11ClN4O2S/c1-8(10-6-15-16-7-10)17-20(18,19)12-4-9(5-14)2-3-11(12)13/h2-4,6-8,17H,1H3,(H,15,16)
InChIKeyWIONDZFMZGHZQW-UHFFFAOYSA-N
MW310.77 g/mol
LogP1.97
Rot. Bonds4

About 2-chloro-5-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide

2-chloro-5-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 104919359) has the molecular formula C12H11ClN4O2S and a molecular weight of 310.77 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
PubChem CID104919359
Molecular FormulaC12H11ClN4O2S
Molecular Weight310.77 g/mol
Exact Mass310.03
IUPAC Name2-chloro-5-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(C#N)ccc1Cl)c1cn[nH]c1
InChIInChI=1S/C12H11ClN4O2S/c1-8(10-6-15-16-7-10)17-20(18,19)12-4-9(5-14)2-3-11(12)13/h2-4,6-8,17H,1H3,(H,15,16)
InChIKeyWIONDZFMZGHZQW-UHFFFAOYSA-N
XLogP1.97
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-cyano-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 104918937
3-(aminomethyl)-2,4-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106218593
4-(aminomethyl)-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106217429
2-chloro-5-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 80704573
2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide
CID 103854257
2-chloro-5-cyano-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 80704766
2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868959
2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620941
2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide
CID 80703898
2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270424
3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208359
2-chloro-5-cyano-N-(5-hydroxypentan-2-yl)benzenesulfonamide
CID 80704020

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide (CID 104919359) is 2-chloro-5-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1cc(C#N)ccc1Cl)c1cn[nH]c1.
What is the InChIKey of 2-chloro-5-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is WIONDZFMZGHZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2S/c1-8(10-6-15-16-7-10)17-20(18,19)12-4-9(5-14)2-3-11(12)13/h2-4,6-8,17H,1H3,(H,15,16).
What are the key properties of 2-chloro-5-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
2-chloro-5-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 310.77 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 104919359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).