N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide

C14H16N2O2S — CID 10660094

IUPACN-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(N[C@H]1CCNC1)c1ccc2ccccc2c1
InChIInChI=1S/C14H16N2O2S/c17-19(18,16-13-7-8-15-10-13)14-6-5-11-3-1-2-4-12(11)9-14/h1-6,9,13,15-16H,7-8,10H2/t13-/m0/s1
InChIKeyIVEABPFFEVIBQZ-ZDUSSCGKSA-N
MW276.36 g/mol
LogP1.48
Rot. Bonds3

About N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide

N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 10660094) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
PubChem CID10660094
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(N[C@H]1CCNC1)c1ccc2ccccc2c1
InChIInChI=1S/C14H16N2O2S/c17-19(18,16-13-7-8-15-10-13)14-6-5-11-3-1-2-4-12(11)9-14/h1-6,9,13,15-16H,7-8,10H2/t13-/m0/s1
InChIKeyIVEABPFFEVIBQZ-ZDUSSCGKSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-3-ylnaphthalene-2-sulfonamide
CID 63321555
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685888
3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62379889
4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 103828887
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
4-hydroxy-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686161
3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967317
4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685610
N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 79684944
3-fluoro-4-methoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685240

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide (CID 10660094) is N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide is O=S(=O)(N[C@H]1CCNC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is IVEABPFFEVIBQZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-19(18,16-13-7-8-15-10-13)14-6-5-11-3-1-2-4-12(11)9-14/h1-6,9,13,15-16H,7-8,10H2/t13-/m0/s1.
What are the key properties of N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide?
N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 10660094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).