N-[2-(piperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide

C19H17F3N4O3S2 — CID 11454197

IUPACN-[2-(piperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=C(c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1
InChIInChI=1S/C19H17F3N4O3S2/c20-19(21,22)12-7-8-13(18(27)26-9-2-1-3-10-26)15(11-12)25-31(28,29)16-6-4-5-14-17(16)24-30-23-14/h4-8,11,25H,1-3,9-10H2
InChIKeyQQKTVZKAGCCFJB-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.14
Rot. Bonds4

About N-[2-(piperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide

N-[2-(piperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 11454197) has the molecular formula C19H17F3N4O3S2 and a molecular weight of 470.50 g/mol. Its IUPAC name is N-[2-(piperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(piperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID11454197
Molecular FormulaC19H17F3N4O3S2
Molecular Weight470.50 g/mol
Exact Mass470.07
IUPAC NameN-[2-(piperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=C(c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1
InChIInChI=1S/C19H17F3N4O3S2/c20-19(21,22)12-7-8-13(18(27)26-9-2-1-3-10-26)15(11-12)25-31(28,29)16-6-4-5-14-17(16)24-30-23-14/h4-8,11,25H,1-3,9-10H2
InChIKeyQQKTVZKAGCCFJB-UHFFFAOYSA-N
XLogP4.14
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diazox_sulfon_A(36)', 'substructure': 'N/A'}

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Related Compounds

N-[5-iodo-2-(piperidine-1-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 11353036
N-[5-methyl-2-(morpholine-4-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 58906255
N-[2-(azepane-1-carbonyl)-5-iodophenyl]quinoxaline-5-sulfonamide
CID 11444027
N-[2-(azepane-1-carbonyl)-5-bromophenyl]quinoxaline-5-sulfonamide
CID 11752167
methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-fluorobenzoate
CID 67202118
methyl 2-(quinoxalin-5-ylsulfonylamino)-4-(trifluoromethyl)benzoate
CID 67200346
N-[5-chloro-2-[(1S,9S)-6-oxo-11-aza-2-azoniatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 58906235
azepan-1-yl-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]methanone
CID 20853463
N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 31813108
3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
CID 31776356
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 4076822
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
CID 11167847

Frequently Asked Questions

What is the IUPAC name of N-[2-(piperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-[2-(piperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide (CID 11454197) is N-[2-(piperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-[2-(piperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-[2-(piperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide is O=C(c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1.
What is the InChIKey of N-[2-(piperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is QQKTVZKAGCCFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3S2/c20-19(21,22)12-7-8-13(18(27)26-9-2-1-3-10-26)15(11-12)25-31(28,29)16-6-4-5-14-17(16)24-30-23-14/h4-8,11,25H,1-3,9-10H2.
What are the key properties of N-[2-(piperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide?
N-[2-(piperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 470.50 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(piperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 11454197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).