N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide

C15H21NO5S2 — CID 39697581

IUPACN-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)cc1
InChIInChI=1S/C15H21NO5S2/c1-22(17,18)14-4-6-15(7-5-14)23(19,20)16(13-2-3-13)10-12-8-9-21-11-12/h4-7,12-13H,2-3,8-11H2,1H3/t12-/m1/s1
InChIKeyLGPIJFRTTNQWHS-GFCCVEGCSA-N
MW359.47 g/mol
LogP1.28
Rot. Bonds6

About N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide

N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide (PubChem CID 39697581) has the molecular formula C15H21NO5S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
PubChem CID39697581
Molecular FormulaC15H21NO5S2
Molecular Weight359.47 g/mol
Exact Mass359.09
IUPAC NameN-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)cc1
InChIInChI=1S/C15H21NO5S2/c1-22(17,18)14-4-6-15(7-5-14)23(19,20)16(13-2-3-13)10-12-8-9-21-11-12/h4-7,12-13H,2-3,8-11H2,1H3/t12-/m1/s1
InChIKeyLGPIJFRTTNQWHS-GFCCVEGCSA-N
XLogP1.28
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 86986018
3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61138357
N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697628
3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697634
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide
CID 78872535
5-[cyclopropyl(oxolan-3-ylmethyl)sulfamoyl]-2-methoxybenzamide
CID 47031527
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 54877023
4-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-(oxan-4-yl)benzenesulfonamide
CID 71549300
N-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697483
N-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide
CID 47814417
5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide
CID 106467532
1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 94118146

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide (CID 39697581) is N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide is CS(=O)(=O)c1ccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
The InChIKey is LGPIJFRTTNQWHS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO5S2/c1-22(17,18)14-4-6-15(7-5-14)23(19,20)16(13-2-3-13)10-12-8-9-21-11-12/h4-7,12-13H,2-3,8-11H2,1H3/t12-/m1/s1.
What are the key properties of N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide has a molecular weight of 359.47 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 39697581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).