2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide

C8H10ClN5O2S2 — CID 114170773

IUPAC2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H10ClN5O2S2/c1-2-14-5-11-13-6(14)3-12-18(15,16)7-4-10-8(9)17-7/h4-5,12H,2-3H2,1H3
InChIKeyJNLIUXGWMJMVFO-UHFFFAOYSA-N
MW307.79 g/mol
LogP0.89
Rot. Bonds5

About 2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 114170773) has the molecular formula C8H10ClN5O2S2 and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID114170773
Molecular FormulaC8H10ClN5O2S2
Molecular Weight307.79 g/mol
Exact Mass307.00
IUPAC Name2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H10ClN5O2S2/c1-2-14-5-11-13-6(14)3-12-18(15,16)7-4-10-8(9)17-7/h4-5,12H,2-3H2,1H3
InChIKeyJNLIUXGWMJMVFO-UHFFFAOYSA-N
XLogP0.89
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 61047274
5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106302320
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 63330108
5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
CID 106303562
2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 106899619
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide
CID 106304253
5-chloro-6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide
CID 136574867
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydrazinylbenzenesulfonamide
CID 114170893
5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyltriazole-4-sulfonamide
CID 106898518
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 106304083
3-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2-benzoxazole-5-sulfonamide
CID 126818073
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4-trifluorobenzenesulfonamide
CID 47064982

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide (CID 114170773) is 2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide is CCn1cnnc1CNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is JNLIUXGWMJMVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5O2S2/c1-2-14-5-11-13-6(14)3-12-18(15,16)7-4-10-8(9)17-7/h4-5,12H,2-3H2,1H3.
What are the key properties of 2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 307.79 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 114170773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).