N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]benzenesulfonamide

C13H18N2O3S — CID 104892772

IUPACN-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccccc1N1CC[C@@H](O)C1
InChIInChI=1S/C13H18N2O3S/c16-11-7-8-15(9-11)12-3-1-2-4-13(12)19(17,18)14-10-5-6-10/h1-4,10-11,14,16H,5-9H2/t11-/m1/s1
InChIKeyCTCWBFXMNXRCTG-LLVKDONJSA-N
MW282.36 g/mol
LogP0.70
Rot. Bonds4

About N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]benzenesulfonamide

N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]benzenesulfonamide (PubChem CID 104892772) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]benzenesulfonamide
PubChem CID104892772
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccccc1N1CC[C@@H](O)C1
InChIInChI=1S/C13H18N2O3S/c16-11-7-8-15(9-11)12-3-1-2-4-13(12)19(17,18)14-10-5-6-10/h1-4,10-11,14,16H,5-9H2/t11-/m1/s1
InChIKeyCTCWBFXMNXRCTG-LLVKDONJSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 55132124
(3R)-1-[2-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 113238022
N-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide
CID 43454625
(3S)-1-[2-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 113239909
N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide
CID 115300856
4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol
CID 103896232
2-(3-aminopyrazol-1-yl)-N-cyclopropylbenzenesulfonamide
CID 61176044
2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide
CID 115300944
3-methyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-ol
CID 114680817
N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 63267667
2-[(3S)-3-hydroxypyrrolidin-1-yl]benzonitrile
CID 55252376
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 62063614

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]benzenesulfonamide (CID 104892772) is N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]benzenesulfonamide is O=S(=O)(NC1CC1)c1ccccc1N1CC[C@@H](O)C1.
What is the InChIKey of N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]benzenesulfonamide?
The InChIKey is CTCWBFXMNXRCTG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-11-7-8-15(9-11)12-3-1-2-4-13(12)19(17,18)14-10-5-6-10/h1-4,10-11,14,16H,5-9H2/t11-/m1/s1.
What are the key properties of N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]benzenesulfonamide?
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]benzenesulfonamide has a molecular weight of 282.36 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 104892772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).