2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide

C12H10ClN3O2S2 — CID 43455903

IUPAC2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide
SMILESN#CCCN(c1ccccc1)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C12H10ClN3O2S2/c13-12-15-9-11(19-12)20(17,18)16(8-4-7-14)10-5-2-1-3-6-10/h1-3,5-6,9H,4,8H2
InChIKeyUNTYWCVROYEMFF-UHFFFAOYSA-N
MW327.82 g/mol
LogP2.91
Rot. Bonds5

About 2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide (PubChem CID 43455903) has the molecular formula C12H10ClN3O2S2 and a molecular weight of 327.82 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide
PubChem CID43455903
Molecular FormulaC12H10ClN3O2S2
Molecular Weight327.82 g/mol
Exact Mass326.99
IUPAC Name2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide
SMILESN#CCCN(c1ccccc1)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C12H10ClN3O2S2/c13-12-15-9-11(19-12)20(17,18)16(8-4-7-14)10-5-2-1-3-6-10/h1-3,5-6,9H,4,8H2
InChIKeyUNTYWCVROYEMFF-UHFFFAOYSA-N
XLogP2.91
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide
CID 103847451
2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
CID 61052655
2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide
CID 43427433
N-(2-cyanoethyl)-4-iodo-N-phenylbenzenesulfonamide
CID 3721933
N-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60910953
3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide
CID 4987406
2-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-sulfonamide
CID 61042544
2-chloro-N,N-dipropyl-1,3-thiazole-5-sulfonamide
CID 43427518
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-hydroxyethyl)-N-phenylbenzenesulfonamide
CID 168581767
2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid
CID 104936964
N-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide
CID 79593944
N-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide
CID 30056480

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide (CID 43455903) is 2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide is N#CCCN(c1ccccc1)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide?
The InChIKey is UNTYWCVROYEMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S2/c13-12-15-9-11(19-12)20(17,18)16(8-4-7-14)10-5-2-1-3-6-10/h1-3,5-6,9H,4,8H2.
What are the key properties of 2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide has a molecular weight of 327.82 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).