2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide

C12H9ClN4O2S2 — CID 61047553

IUPAC2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccn[nH]2)cc1)c1cnc(Cl)s1
InChIInChI=1S/C12H9ClN4O2S2/c13-12-14-7-11(20-12)21(18,19)17-9-3-1-8(2-4-9)10-5-6-15-16-10/h1-7,17H,(H,15,16)
InChIKeyAEHGEQGPLOWQBB-UHFFFAOYSA-N
MW340.82 g/mol
LogP2.99
Rot. Bonds4

About 2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide (PubChem CID 61047553) has the molecular formula C12H9ClN4O2S2 and a molecular weight of 340.82 g/mol. Its IUPAC name is 2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide
PubChem CID61047553
Molecular FormulaC12H9ClN4O2S2
Molecular Weight340.82 g/mol
Exact Mass339.99
IUPAC Name2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccn[nH]2)cc1)c1cnc(Cl)s1
InChIInChI=1S/C12H9ClN4O2S2/c13-12-14-7-11(20-12)21(18,19)17-9-3-1-8(2-4-9)10-5-6-15-16-10/h1-7,17H,(H,15,16)
InChIKeyAEHGEQGPLOWQBB-UHFFFAOYSA-N
XLogP2.99
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.82
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 43427435
5-ethyl-N-[4-(1H-pyrazol-5-yl)phenyl]thiophene-2-sulfonamide
CID 110732438
3,5-dichloro-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 72547025
N-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 53130896
N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 61051227
methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate
CID 60749436
4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide
CID 60749460
2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide
CID 61051625
2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide
CID 107573403
2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-5-sulfonamide
CID 61251329
2-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 61229017
2-chloro-N-(2-chlorophenyl)-1,3-thiazole-5-sulfonamide
CID 43427443

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide (CID 61047553) is 2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide is O=S(=O)(Nc1ccc(-c2ccn[nH]2)cc1)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is AEHGEQGPLOWQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2S2/c13-12-14-7-11(20-12)21(18,19)17-9-3-1-8(2-4-9)10-5-6-15-16-10/h1-7,17H,(H,15,16).
What are the key properties of 2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 340.82 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61047553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).