N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]ethanesulfonamide

C10H16ClN3O4S3 — CID 61044816

IUPACN-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C10H16ClN3O4S3/c1-2-20(15,16)13-8-3-5-14(6-4-8)21(17,18)9-7-12-10(11)19-9/h7-8,13H,2-6H2,1H3
InChIKeyDXBFUGKJSHLOLR-UHFFFAOYSA-N
MW373.91 g/mol
LogP0.89
Rot. Bonds5

About N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]ethanesulfonamide

N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]ethanesulfonamide (PubChem CID 61044816) has the molecular formula C10H16ClN3O4S3 and a molecular weight of 373.91 g/mol. Its IUPAC name is N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]ethanesulfonamide
PubChem CID61044816
Molecular FormulaC10H16ClN3O4S3
Molecular Weight373.91 g/mol
Exact Mass373.00
IUPAC NameN-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C10H16ClN3O4S3/c1-2-20(15,16)13-8-3-5-14(6-4-8)21(17,18)9-7-12-10(11)19-9/h7-8,13H,2-6H2,1H3
InChIKeyDXBFUGKJSHLOLR-UHFFFAOYSA-N
XLogP0.89
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]ethanesulfonamide (CID 61044816) is N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]ethanesulfonamide?
The InChIKey is DXBFUGKJSHLOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O4S3/c1-2-20(15,16)13-8-3-5-14(6-4-8)21(17,18)9-7-12-10(11)19-9/h7-8,13H,2-6H2,1H3.
What are the key properties of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]ethanesulfonamide?
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]ethanesulfonamide has a molecular weight of 373.91 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 61044816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).