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

C15H18N2O2S — CID 44592154

IUPACN-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESCN([C@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H18N2O2S/c1-17(14-8-9-16-11-14)20(18,19)15-7-6-12-4-2-3-5-13(12)10-15/h2-7,10,14,16H,8-9,11H2,1H3/t14-/m0/s1
InChIKeyZCVDRKAWDMMKKP-AWEZNQCLSA-N
MW290.39 g/mol
LogP1.82
Rot. Bonds3

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

N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 44592154) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
PubChem CID44592154
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESCN([C@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H18N2O2S/c1-17(14-8-9-16-11-14)20(18,19)15-7-6-12-4-2-3-5-13(12)10-15/h2-7,10,14,16H,8-9,11H2,1H3/t14-/m0/s1
InChIKeyZCVDRKAWDMMKKP-AWEZNQCLSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride
CID 120709882
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
N-piperidin-4-yl-N-propylnaphthalene-2-sulfonamide
CID 119993833
N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978960
N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119978705
N,2-dimethyl-N-pyrrolidin-3-yl-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119978923
3-bromo-4-methoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63297854
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210
4-chloro-3-cyano-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978766
N,3-dimethyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119979065
4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120875073

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide (CID 44592154) is N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide is CN([C@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is ZCVDRKAWDMMKKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-17(14-8-9-16-11-14)20(18,19)15-7-6-12-4-2-3-5-13(12)10-15/h2-7,10,14,16H,8-9,11H2,1H3/t14-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide?
N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 44592154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).