2-(piperidine-1-carbonyl)-5-propan-2-yl-N-(thiadiazol-4-yl)benzenesulfonamide

C17H22N4O3S2 — CID 174505750

IUPAC2-(piperidine-1-carbonyl)-5-propan-2-yl-N-(thiadiazol-4-yl)benzenesulfonamide
SMILESCC(C)c1ccc(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2csnn2)c1
InChIInChI=1S/C17H22N4O3S2/c1-12(2)13-6-7-14(17(22)21-8-4-3-5-9-21)15(10-13)26(23,24)19-16-11-25-20-18-16/h6-7,10-12,19H,3-5,8-9H2,1-2H3
InChIKeyOVJSDYIHLHMZGL-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.09
Rot. Bonds5

About 2-(piperidine-1-carbonyl)-5-propan-2-yl-N-(thiadiazol-4-yl)benzenesulfonamide

2-(piperidine-1-carbonyl)-5-propan-2-yl-N-(thiadiazol-4-yl)benzenesulfonamide (PubChem CID 174505750) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(piperidine-1-carbonyl)-5-propan-2-yl-N-(thiadiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(piperidine-1-carbonyl)-5-propan-2-yl-N-(thiadiazol-4-yl)benzenesulfonamide
PubChem CID174505750
Molecular FormulaC17H22N4O3S2
Molecular Weight394.52 g/mol
Exact Mass394.11
IUPAC Name2-(piperidine-1-carbonyl)-5-propan-2-yl-N-(thiadiazol-4-yl)benzenesulfonamide
SMILESCC(C)c1ccc(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2csnn2)c1
InChIInChI=1S/C17H22N4O3S2/c1-12(2)13-6-7-14(17(22)21-8-4-3-5-9-21)15(10-13)26(23,24)19-16-11-25-20-18-16/h6-7,10-12,19H,3-5,8-9H2,1-2H3
InChIKeyOVJSDYIHLHMZGL-UHFFFAOYSA-N
XLogP3.09
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-2-(piperidine-1-carbonyl)-N-(thiadiazol-4-yl)benzenesulfonamide
CID 174505738
2-(piperidine-1-carbonyl)-5-propan-2-ylbenzamide
CID 68832507
1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 53068635
dimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 43069411
2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 154359257
N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059185
4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 50777609
N-[6-piperazin-1-yl-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 53108329
2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide
CID 55898218
azonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone
CID 154789120
N-[5-amino-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-sulfonamide
CID 158101375
5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide
CID 53067986

Frequently Asked Questions

What is the IUPAC name of 2-(piperidine-1-carbonyl)-5-propan-2-yl-N-(thiadiazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-(piperidine-1-carbonyl)-5-propan-2-yl-N-(thiadiazol-4-yl)benzenesulfonamide (CID 174505750) is 2-(piperidine-1-carbonyl)-5-propan-2-yl-N-(thiadiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-(piperidine-1-carbonyl)-5-propan-2-yl-N-(thiadiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-(piperidine-1-carbonyl)-5-propan-2-yl-N-(thiadiazol-4-yl)benzenesulfonamide is CC(C)c1ccc(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2csnn2)c1.
What is the InChIKey of 2-(piperidine-1-carbonyl)-5-propan-2-yl-N-(thiadiazol-4-yl)benzenesulfonamide?
The InChIKey is OVJSDYIHLHMZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c1-12(2)13-6-7-14(17(22)21-8-4-3-5-9-21)15(10-13)26(23,24)19-16-11-25-20-18-16/h6-7,10-12,19H,3-5,8-9H2,1-2H3.
What are the key properties of 2-(piperidine-1-carbonyl)-5-propan-2-yl-N-(thiadiazol-4-yl)benzenesulfonamide?
2-(piperidine-1-carbonyl)-5-propan-2-yl-N-(thiadiazol-4-yl)benzenesulfonamide has a molecular weight of 394.52 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidine-1-carbonyl)-5-propan-2-yl-N-(thiadiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 174505750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).