4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

C11H14ClNO3S — CID 767831

IUPAC4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H]1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c12-9-3-5-11(6-4-9)17(14,15)13-8-10-2-1-7-16-10/h3-6,10,13H,1-2,7-8H2/t10-/m1/s1
InChIKeyRWOHAUOVGNDHMW-SNVBAGLBSA-N
MW275.76 g/mol
LogP1.80
Rot. Bonds4

About 4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 767831) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
PubChem CID767831
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H]1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c12-9-3-5-11(6-4-9)17(14,15)13-8-10-2-1-7-16-10/h3-6,10,13H,1-2,7-8H2/t10-/m1/s1
InChIKeyRWOHAUOVGNDHMW-SNVBAGLBSA-N
XLogP1.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2939658
6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide
CID 7124105
4-(2-chloroethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43662744
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981235
4-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2225767
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43098597
5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337
4-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1025633

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (CID 767831) is 4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is O=S(=O)(NC[C@H]1CCCO1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is RWOHAUOVGNDHMW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c12-9-3-5-11(6-4-9)17(14,15)13-8-10-2-1-7-16-10/h3-6,10,13H,1-2,7-8H2/t10-/m1/s1.
What are the key properties of 4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 275.76 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 767831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).