2-chloro-5-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide

C12H10ClN3O2S2 — CID 80704573

IUPAC2-chloro-5-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(C#N)ccc1Cl)c1nccs1
InChIInChI=1S/C12H10ClN3O2S2/c1-8(12-15-4-5-19-12)16-20(17,18)11-6-9(7-14)2-3-10(11)13/h2-6,8,16H,1H3
InChIKeySEEXRDRQWDHRAS-UHFFFAOYSA-N
MW327.82 g/mol
LogP2.71
Rot. Bonds4

About 2-chloro-5-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide

2-chloro-5-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 80704573) has the molecular formula C12H10ClN3O2S2 and a molecular weight of 327.82 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID80704573
Molecular FormulaC12H10ClN3O2S2
Molecular Weight327.82 g/mol
Exact Mass326.99
IUPAC Name2-chloro-5-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(C#N)ccc1Cl)c1nccs1
InChIInChI=1S/C12H10ClN3O2S2/c1-8(12-15-4-5-19-12)16-20(17,18)11-6-9(7-14)2-3-10(11)13/h2-6,8,16H,1H3
InChIKeySEEXRDRQWDHRAS-UHFFFAOYSA-N
XLogP2.71
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 115616293
2-chloro-5-cyano-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 104918937
2-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 106545998
2-chloro-5-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 104919359
2-chloro-5-cyano-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 80704766
6-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 115616292
2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide
CID 80703898
2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 103988860
2-chloro-5-cyano-N-(5-hydroxypentan-2-yl)benzenesulfonamide
CID 80704020
2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868959
2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide
CID 80704391
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 80704573) is 2-chloro-5-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1cc(C#N)ccc1Cl)c1nccs1.
What is the InChIKey of 2-chloro-5-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is SEEXRDRQWDHRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S2/c1-8(12-15-4-5-19-12)16-20(17,18)11-6-9(7-14)2-3-10(11)13/h2-6,8,16H,1H3.
What are the key properties of 2-chloro-5-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
2-chloro-5-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 327.82 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 80704573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).