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

C15H20FNO4S — CID 39697628

IUPACN-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)cc1F
InChIInChI=1S/C15H20FNO4S/c1-20-15-5-4-13(8-14(15)16)22(18,19)17(12-2-3-12)9-11-6-7-21-10-11/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3/t11-/m1/s1
InChIKeyVQBUCOMUFRDYKM-LLVKDONJSA-N
MW329.39 g/mol
LogP2.02
Rot. Bonds6

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

N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide (PubChem CID 39697628) has the molecular formula C15H20FNO4S and a molecular weight of 329.39 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
PubChem CID39697628
Molecular FormulaC15H20FNO4S
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC NameN-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)cc1F
InChIInChI=1S/C15H20FNO4S/c1-20-15-5-4-13(8-14(15)16)22(18,19)17(12-2-3-12)9-11-6-7-21-10-11/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3/t11-/m1/s1
InChIKeyVQBUCOMUFRDYKM-LLVKDONJSA-N
XLogP2.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697634
5-[cyclopropyl(oxolan-3-ylmethyl)sulfamoyl]-2-methoxybenzamide
CID 47031527
N-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697483
N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697581
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
3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 71977813
3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905715
N-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide
CID 47814417
2-[(3S,4R)-4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]oxan-3-yl]oxyacetic acid
CID 91761890
5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91915442
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide
CID 78872535

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide (CID 39697628) is N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)cc1F.
What is the InChIKey of N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
The InChIKey is VQBUCOMUFRDYKM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20FNO4S/c1-20-15-5-4-13(8-14(15)16)22(18,19)17(12-2-3-12)9-11-6-7-21-10-11/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide has a molecular weight of 329.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 39697628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).