2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide

C16H20Cl2N2O4S — CID 1091764

IUPAC2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N2O4S/c17-13-9-14(18)15(25(22,23)20-5-1-2-6-20)8-12(13)16(21)19-10-11-4-3-7-24-11/h8-9,11H,1-7,10H2,(H,19,21)/t11-/m0/s1
InChIKeyPMSRBHOVTZKOTD-NSHDSACASA-N
MW407.32 g/mol
LogP2.69
Rot. Bonds5

About 2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide

2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1091764) has the molecular formula C16H20Cl2N2O4S and a molecular weight of 407.32 g/mol. Its IUPAC name is 2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1091764
Molecular FormulaC16H20Cl2N2O4S
Molecular Weight407.32 g/mol
Exact Mass406.05
IUPAC Name2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N2O4S/c17-13-9-14(18)15(25(22,23)20-5-1-2-6-20)8-12(13)16(21)19-10-11-4-3-7-24-11/h8-9,11H,1-7,10H2,(H,19,21)/t11-/m0/s1
InChIKeyPMSRBHOVTZKOTD-NSHDSACASA-N
XLogP2.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 154747662
2-bromo-4-chloro-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65368764
3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 34551600
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide
CID 92882534
5-(azepan-1-ylsulfonyl)-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 43882539
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
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
3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
CID 65374560
2-[(2-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491650
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30146041

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide (CID 1091764) is 2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide is O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is PMSRBHOVTZKOTD-NSHDSACASA-N. The full InChI is InChI=1S/C16H20Cl2N2O4S/c17-13-9-14(18)15(25(22,23)20-5-1-2-6-20)8-12(13)16(21)19-10-11-4-3-7-24-11/h8-9,11H,1-7,10H2,(H,19,21)/t11-/m0/s1.
What are the key properties of 2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 407.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1091764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).