3-chloro-2-(piperidine-1-carbonyl)-N-(thiadiazol-4-yl)benzenesulfonamide

C14H15ClN4O3S2 — CID 174505738

IUPAC3-chloro-2-(piperidine-1-carbonyl)-N-(thiadiazol-4-yl)benzenesulfonamide
SMILESO=C(c1c(Cl)cccc1S(=O)(=O)Nc1csnn1)N1CCCCC1
InChIInChI=1S/C14H15ClN4O3S2/c15-10-5-4-6-11(24(21,22)17-12-9-23-18-16-12)13(10)14(20)19-7-2-1-3-8-19/h4-6,9,17H,1-3,7-8H2
InChIKeyPFAGKWBTUXEMGZ-UHFFFAOYSA-N
MW386.89 g/mol
LogP2.62
Rot. Bonds4

About 3-chloro-2-(piperidine-1-carbonyl)-N-(thiadiazol-4-yl)benzenesulfonamide

3-chloro-2-(piperidine-1-carbonyl)-N-(thiadiazol-4-yl)benzenesulfonamide (PubChem CID 174505738) has the molecular formula C14H15ClN4O3S2 and a molecular weight of 386.89 g/mol. Its IUPAC name is 3-chloro-2-(piperidine-1-carbonyl)-N-(thiadiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-(piperidine-1-carbonyl)-N-(thiadiazol-4-yl)benzenesulfonamide
PubChem CID174505738
Molecular FormulaC14H15ClN4O3S2
Molecular Weight386.89 g/mol
Exact Mass386.03
IUPAC Name3-chloro-2-(piperidine-1-carbonyl)-N-(thiadiazol-4-yl)benzenesulfonamide
SMILESO=C(c1c(Cl)cccc1S(=O)(=O)Nc1csnn1)N1CCCCC1
InChIInChI=1S/C14H15ClN4O3S2/c15-10-5-4-6-11(24(21,22)17-12-9-23-18-16-12)13(10)14(20)19-7-2-1-3-8-19/h4-6,9,17H,1-3,7-8H2
InChIKeyPFAGKWBTUXEMGZ-UHFFFAOYSA-N
XLogP2.62
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(piperidine-1-carbonyl)-N-(thiadiazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-(piperidine-1-carbonyl)-N-(thiadiazol-4-yl)benzenesulfonamide (CID 174505738) is 3-chloro-2-(piperidine-1-carbonyl)-N-(thiadiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-(piperidine-1-carbonyl)-N-(thiadiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-(piperidine-1-carbonyl)-N-(thiadiazol-4-yl)benzenesulfonamide is O=C(c1c(Cl)cccc1S(=O)(=O)Nc1csnn1)N1CCCCC1.
What is the InChIKey of 3-chloro-2-(piperidine-1-carbonyl)-N-(thiadiazol-4-yl)benzenesulfonamide?
The InChIKey is PFAGKWBTUXEMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3S2/c15-10-5-4-6-11(24(21,22)17-12-9-23-18-16-12)13(10)14(20)19-7-2-1-3-8-19/h4-6,9,17H,1-3,7-8H2.
What are the key properties of 3-chloro-2-(piperidine-1-carbonyl)-N-(thiadiazol-4-yl)benzenesulfonamide?
3-chloro-2-(piperidine-1-carbonyl)-N-(thiadiazol-4-yl)benzenesulfonamide has a molecular weight of 386.89 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(piperidine-1-carbonyl)-N-(thiadiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 174505738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).