(3-chlorophenyl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone

C16H16ClNO3S2 — CID 26334488

IUPAC(3-chlorophenyl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
SMILESO=C(c1cccc(Cl)c1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C16H16ClNO3S2/c17-14-6-1-4-12(10-14)16(19)13-5-2-8-18(11-13)23(20,21)15-7-3-9-22-15/h1,3-4,6-7,9-10,13H,2,5,8,11H2/t13-/m0/s1
InChIKeyNTCQQPPVNSAVRI-ZDUSSCGKSA-N
MW369.90 g/mol
LogP3.69
Rot. Bonds4

About (3-chlorophenyl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone

(3-chlorophenyl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone (PubChem CID 26334488) has the molecular formula C16H16ClNO3S2 and a molecular weight of 369.90 g/mol. Its IUPAC name is (3-chlorophenyl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
PubChem CID26334488
Molecular FormulaC16H16ClNO3S2
Molecular Weight369.90 g/mol
Exact Mass369.03
IUPAC Name(3-chlorophenyl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
SMILESO=C(c1cccc(Cl)c1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C16H16ClNO3S2/c17-14-6-1-4-12(10-14)16(19)13-5-2-8-18(11-13)23(20,21)15-7-3-9-22-15/h1,3-4,6-7,9-10,13H,2,5,8,11H2/t13-/m0/s1
InChIKeyNTCQQPPVNSAVRI-ZDUSSCGKSA-N
XLogP3.69
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
(3-chlorophenyl)-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 26327318
[4-(3-chlorophenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 15989414
methyl 3-[(3R)-3-(3-chlorobenzoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 42459950
(3R)-N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9092739
N-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55412213
(3R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802323
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
methyl 3-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]benzoate
CID 46764341
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone (CID 26334488) is (3-chlorophenyl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone is O=C(c1cccc(Cl)c1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of (3-chlorophenyl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone?
The InChIKey is NTCQQPPVNSAVRI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16ClNO3S2/c17-14-6-1-4-12(10-14)16(19)13-5-2-8-18(11-13)23(20,21)15-7-3-9-22-15/h1,3-4,6-7,9-10,13H,2,5,8,11H2/t13-/m0/s1.
What are the key properties of (3-chlorophenyl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone?
(3-chlorophenyl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone has a molecular weight of 369.90 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 26334488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).