N-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide

C14H16N4O2S2 — CID 71688396

IUPACN-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1cccc2sc(NS(=O)(=O)c3cnn(C(C)C)c3)nc12
InChIInChI=1S/C14H16N4O2S2/c1-9(2)18-8-11(7-15-18)22(19,20)17-14-16-13-10(3)5-4-6-12(13)21-14/h4-9H,1-3H3,(H,16,17)
InChIKeyHMJYSAPISXLHNR-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.18
Rot. Bonds4

About N-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide

N-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 71688396) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID71688396
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC NameN-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1cccc2sc(NS(=O)(=O)c3cnn(C(C)C)c3)nc12
InChIInChI=1S/C14H16N4O2S2/c1-9(2)18-8-11(7-15-18)22(19,20)17-14-16-13-10(3)5-4-6-12(13)21-14/h4-9H,1-3H3,(H,16,17)
InChIKeyHMJYSAPISXLHNR-UHFFFAOYSA-N
XLogP3.18
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688335
N-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285299
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688263
1-ethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide
CID 17376259
N-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71993033
1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 84595481
N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688314
N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688421
N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688376
N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 126839647
N-(2-methylpyrazol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 139011594
2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 4806091

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide (CID 71688396) is N-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide is Cc1cccc2sc(NS(=O)(=O)c3cnn(C(C)C)c3)nc12.
What is the InChIKey of N-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is HMJYSAPISXLHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c1-9(2)18-8-11(7-15-18)22(19,20)17-14-16-13-10(3)5-4-6-12(13)21-14/h4-9H,1-3H3,(H,16,17).
What are the key properties of N-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
N-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71688396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).