N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide

C18H15ClN4O2S2 — CID 46392729

IUPACN-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(-c3nc4ccc(Cl)cc4s3)cc2)cn1
InChIInChI=1S/C18H15ClN4O2S2/c1-2-23-11-15(10-20-23)27(24,25)22-14-6-3-12(4-7-14)18-21-16-8-5-13(19)9-17(16)26-18/h3-11,22H,2H2,1H3
InChIKeyGSJJELYYMQNXJB-UHFFFAOYSA-N
MW418.93 g/mol
LogP4.63
Rot. Bonds5

About N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide

N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide (PubChem CID 46392729) has the molecular formula C18H15ClN4O2S2 and a molecular weight of 418.93 g/mol. Its IUPAC name is N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
PubChem CID46392729
Molecular FormulaC18H15ClN4O2S2
Molecular Weight418.93 g/mol
Exact Mass418.03
IUPAC NameN-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(-c3nc4ccc(Cl)cc4s3)cc2)cn1
InChIInChI=1S/C18H15ClN4O2S2/c1-2-23-11-15(10-20-23)27(24,25)22-14-6-3-12(4-7-14)18-21-16-8-5-13(19)9-17(16)26-18/h3-11,22H,2H2,1H3
InChIKeyGSJJELYYMQNXJB-UHFFFAOYSA-N
XLogP4.63
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6469273
N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 46392721
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 46392568
1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 71998246
1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19684607
4-acetyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 46392649
N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 19680759
3,4-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 2821932
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 46392642
5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 39836974
2-[(4-chlorophenyl)sulfonylamino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 25036137

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide (CID 46392729) is N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(-c3nc4ccc(Cl)cc4s3)cc2)cn1.
What is the InChIKey of N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide?
The InChIKey is GSJJELYYMQNXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2S2/c1-2-23-11-15(10-20-23)27(24,25)22-14-6-3-12(4-7-14)18-21-16-8-5-13(19)9-17(16)26-18/h3-11,22H,2H2,1H3.
What are the key properties of N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide?
N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide has a molecular weight of 418.93 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 46392729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).