3-nitroso-4-[[(3R)-pyrrolidin-3-yl]amino]benzenesulfonamide

C10H14N4O3S — CID 174853097

IUPAC3-nitroso-4-[[(3R)-pyrrolidin-3-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N[C@@H]2CCNC2)c(N=O)c1
InChIInChI=1S/C10H14N4O3S/c11-18(16,17)8-1-2-9(10(5-8)14-15)13-7-3-4-12-6-7/h1-2,5,7,12-13H,3-4,6H2,(H2,11,16,17)/t7-/m1/s1
InChIKeyALHSOWZEHIYQQD-SSDOTTSWSA-N
MW270.31 g/mol
LogP0.51
Rot. Bonds4

About 3-nitroso-4-[[(3R)-pyrrolidin-3-yl]amino]benzenesulfonamide

3-nitroso-4-[[(3R)-pyrrolidin-3-yl]amino]benzenesulfonamide (PubChem CID 174853097) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-nitroso-4-[[(3R)-pyrrolidin-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-nitroso-4-[[(3R)-pyrrolidin-3-yl]amino]benzenesulfonamide
PubChem CID174853097
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name3-nitroso-4-[[(3R)-pyrrolidin-3-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N[C@@H]2CCNC2)c(N=O)c1
InChIInChI=1S/C10H14N4O3S/c11-18(16,17)8-1-2-9(10(5-8)14-15)13-7-3-4-12-6-7/h1-2,5,7,12-13H,3-4,6H2,(H2,11,16,17)/t7-/m1/s1
InChIKeyALHSOWZEHIYQQD-SSDOTTSWSA-N
XLogP0.51
TPSA113.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-nitroso-4-[[(3R)-pyrrolidin-3-yl]amino]benzenesulfonamide?
The IUPAC name of 3-nitroso-4-[[(3R)-pyrrolidin-3-yl]amino]benzenesulfonamide (CID 174853097) is 3-nitroso-4-[[(3R)-pyrrolidin-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-nitroso-4-[[(3R)-pyrrolidin-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-nitroso-4-[[(3R)-pyrrolidin-3-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(N[C@@H]2CCNC2)c(N=O)c1.
What is the InChIKey of 3-nitroso-4-[[(3R)-pyrrolidin-3-yl]amino]benzenesulfonamide?
The InChIKey is ALHSOWZEHIYQQD-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N4O3S/c11-18(16,17)8-1-2-9(10(5-8)14-15)13-7-3-4-12-6-7/h1-2,5,7,12-13H,3-4,6H2,(H2,11,16,17)/t7-/m1/s1.
What are the key properties of 3-nitroso-4-[[(3R)-pyrrolidin-3-yl]amino]benzenesulfonamide?
3-nitroso-4-[[(3R)-pyrrolidin-3-yl]amino]benzenesulfonamide has a molecular weight of 270.31 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitroso-4-[[(3R)-pyrrolidin-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 174853097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).