2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide

C16H23ClN2O2S2 — CID 91813135

IUPAC2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(C2CCSC2)CC1)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O2S2/c17-15-3-1-2-4-16(15)23(20,21)18-11-13-5-8-19(9-6-13)14-7-10-22-12-14/h1-4,13-14,18H,5-12H2
InChIKeyOAKQJWGHLRXPPW-UHFFFAOYSA-N
MW374.96 g/mol
LogP2.84
Rot. Bonds5

About 2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide

2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 91813135) has the molecular formula C16H23ClN2O2S2 and a molecular weight of 374.96 g/mol. Its IUPAC name is 2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID91813135
Molecular FormulaC16H23ClN2O2S2
Molecular Weight374.96 g/mol
Exact Mass374.09
IUPAC Name2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(C2CCSC2)CC1)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O2S2/c17-15-3-1-2-4-16(15)23(20,21)18-11-13-5-8-19(9-6-13)14-7-10-22-12-14/h1-4,13-14,18H,5-12H2
InChIKeyOAKQJWGHLRXPPW-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.96
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109725
N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813128
2-ethoxy-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813138
2-methoxy-4,5-dimethyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]benzenesulfonamide
CID 100683378
4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109744
2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide
CID 100681734
2,4,6-trimethyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109738
3-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91814268
4-fluoro-3-methyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzenesulfonamide
CID 100682994
2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640667
2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66004603
2-chloro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887922

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide (CID 91813135) is 2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide is O=S(=O)(NCC1CCN(C2CCSC2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is OAKQJWGHLRXPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2S2/c17-15-3-1-2-4-16(15)23(20,21)18-11-13-5-8-19(9-6-13)14-7-10-22-12-14/h1-4,13-14,18H,5-12H2.
What are the key properties of 2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide?
2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 374.96 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 91813135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).