1-cyclopentyl-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide

C17H20N4O4S3 — CID 42282816

IUPAC1-cyclopentyl-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C2CCCC2)cc1S(=O)(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C17H20N4O4S3/c1-11-16(10-21(19-11)12-5-3-4-6-12)28(24,25)20-17-18-14-8-7-13(27(2,22)23)9-15(14)26-17/h7-10,12H,3-6H2,1-2H3,(H,18,20)
InChIKeyWOSBNMUPNOTTFP-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.12
Rot. Bonds5

About 1-cyclopentyl-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide

1-cyclopentyl-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide (PubChem CID 42282816) has the molecular formula C17H20N4O4S3 and a molecular weight of 440.57 g/mol. Its IUPAC name is 1-cyclopentyl-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide
PubChem CID42282816
Molecular FormulaC17H20N4O4S3
Molecular Weight440.57 g/mol
Exact Mass440.06
IUPAC Name1-cyclopentyl-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C2CCCC2)cc1S(=O)(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C17H20N4O4S3/c1-11-16(10-21(19-11)12-5-3-4-6-12)28(24,25)20-17-18-14-8-7-13(27(2,22)23)9-15(14)26-17/h7-10,12H,3-6H2,1-2H3,(H,18,20)
InChIKeyWOSBNMUPNOTTFP-UHFFFAOYSA-N
XLogP3.12
TPSA111.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2,4,5-trimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 35764710
1-cyclopentyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285373
N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285372
N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
CID 42282754
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 110757005
(2S)-1-methylsulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 27452375
N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42282836
3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 1222303
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 110689746
1-cyclopropyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 55374561
1-(4,6-dimethylpyrimidin-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 108793963
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3745144

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-cyclopentyl-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide (CID 42282816) is 1-cyclopentyl-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclopentyl-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclopentyl-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide is Cc1nn(C2CCCC2)cc1S(=O)(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1.
What is the InChIKey of 1-cyclopentyl-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide?
The InChIKey is WOSBNMUPNOTTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S3/c1-11-16(10-21(19-11)12-5-3-4-6-12)28(24,25)20-17-18-14-8-7-13(27(2,22)23)9-15(14)26-17/h7-10,12H,3-6H2,1-2H3,(H,18,20).
What are the key properties of 1-cyclopentyl-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide?
1-cyclopentyl-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide has a molecular weight of 440.57 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 42282816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).