2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide

C16H21ClN2O4S2 — CID 92882534

IUPAC2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl
InChIInChI=1S/C16H21ClN2O4S2/c17-15-4-3-13(25(21,22)19-5-8-24-9-6-19)10-14(15)16(20)18-11-12-2-1-7-23-12/h3-4,10,12H,1-2,5-9,11H2,(H,18,20)/t12-/m0/s1
InChIKeyNPDZUSHIWDVGPF-LBPRGKRZSA-N
MW404.94 g/mol
LogP1.99
Rot. Bonds5

About 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide

2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide (PubChem CID 92882534) has the molecular formula C16H21ClN2O4S2 and a molecular weight of 404.94 g/mol. Its IUPAC name is 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide
PubChem CID92882534
Molecular FormulaC16H21ClN2O4S2
Molecular Weight404.94 g/mol
Exact Mass404.06
IUPAC Name2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl
InChIInChI=1S/C16H21ClN2O4S2/c17-15-4-3-13(25(21,22)19-5-8-24-9-6-19)10-14(15)16(20)18-11-12-2-1-7-23-12/h3-4,10,12H,1-2,5-9,11H2,(H,18,20)/t12-/m0/s1
InChIKeyNPDZUSHIWDVGPF-LBPRGKRZSA-N
XLogP1.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.94
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(azepan-1-ylsulfonyl)-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 43882539
2-methyl-5-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7379557
2-methyl-5-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2994738
5-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbenzamide
CID 25361107
2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 1091764
5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2083754
2-chloro-N-(2-pyrrolidin-1-ylethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387613
4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7436349
2-chloro-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387623
3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2963679
2-chloro-N-(furan-2-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387560
6-morpholin-4-ylsulfonyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 4651455

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide (CID 92882534) is 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide is O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide?
The InChIKey is NPDZUSHIWDVGPF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21ClN2O4S2/c17-15-4-3-13(25(21,22)19-5-8-24-9-6-19)10-14(15)16(20)18-11-12-2-1-7-23-12/h3-4,10,12H,1-2,5-9,11H2,(H,18,20)/t12-/m0/s1.
What are the key properties of 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide?
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide has a molecular weight of 404.94 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 92882534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).