4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

C14H24ClN3O2S — CID 120875073

IUPAC4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCN(C)Cc1ccc(S(=O)(=O)N(C)C2CCNC2)cc1.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-16(2)11-12-4-6-14(7-5-12)20(18,19)17(3)13-8-9-15-10-13;/h4-7,13,15H,8-11H2,1-3H3;1H
InChIKeyXUZUPDCCIOWIQR-UHFFFAOYSA-N
MW333.89 g/mol
LogP1.15
Rot. Bonds5

About 4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 120875073) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID120875073
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC Name4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCN(C)Cc1ccc(S(=O)(=O)N(C)C2CCNC2)cc1.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-16(2)11-12-4-6-14(7-5-12)20(18,19)17(3)13-8-9-15-10-13;/h4-7,13,15H,8-11H2,1-3H3;1H
InChIKeyXUZUPDCCIOWIQR-UHFFFAOYSA-N
XLogP1.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55136438
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978960
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210
N-methyl-4-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978600
4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 120874458
N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205527
N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 44592154
N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119978705
6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride
CID 120709882
4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606910

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (CID 120875073) is 4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is CN(C)Cc1ccc(S(=O)(=O)N(C)C2CCNC2)cc1.Cl.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is XUZUPDCCIOWIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S.ClH/c1-16(2)11-12-4-6-14(7-5-12)20(18,19)17(3)13-8-9-15-10-13;/h4-7,13,15H,8-11H2,1-3H3;1H.
What are the key properties of 4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 333.89 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120875073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).