6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride

C15H18BrClN2O2S — CID 120709882

IUPAC6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc2cc(Br)ccc2c1.Cl
InChIInChI=1S/C15H17BrN2O2S.ClH/c1-18(14-6-7-17-10-14)21(19,20)15-5-3-11-8-13(16)4-2-12(11)9-15;/h2-5,8-9,14,17H,6-7,10H2,1H3;1H
InChIKeyJUDFELFERWKATJ-UHFFFAOYSA-N
MW405.75 g/mol
LogP3.01
Rot. Bonds3

About 6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride

6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride (PubChem CID 120709882) has the molecular formula C15H18BrClN2O2S and a molecular weight of 405.75 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride
PubChem CID120709882
Molecular FormulaC15H18BrClN2O2S
Molecular Weight405.75 g/mol
Exact Mass404.00
IUPAC Name6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc2cc(Br)ccc2c1.Cl
InChIInChI=1S/C15H17BrN2O2S.ClH/c1-18(14-6-7-17-10-14)21(19,20)15-5-3-11-8-13(16)4-2-12(11)9-15;/h2-5,8-9,14,17H,6-7,10H2,1H3;1H
InChIKeyJUDFELFERWKATJ-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.75
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 44592154
3-bromo-4-methoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63297854
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119978705
3-bromo-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709910
4-bromo-N-methyl-2-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978996
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
4-bromo-N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 119979113
N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978960
N,3-dimethyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119979065
4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120875073
9-(6-bromonaphthalen-2-yl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120719567

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride?
The IUPAC name of 6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride (CID 120709882) is 6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride?
The canonical SMILES for 6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride is CN(C1CCNC1)S(=O)(=O)c1ccc2cc(Br)ccc2c1.Cl.
What is the InChIKey of 6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride?
The InChIKey is JUDFELFERWKATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S.ClH/c1-18(14-6-7-17-10-14)21(19,20)15-5-3-11-8-13(16)4-2-12(11)9-15;/h2-5,8-9,14,17H,6-7,10H2,1H3;1H.
What are the key properties of 6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride?
6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride has a molecular weight of 405.75 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120709882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).