4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride

C21H23ClN2O4S — CID 67156366

IUPAC4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(OC3CCNC3)c3ccccc23)cc1.Cl
InChIInChI=1S/C21H22N2O4S.ClH/c1-26-15-6-8-17(9-7-15)28(24,25)23-20-10-11-21(27-16-12-13-22-14-16)19-5-3-2-4-18(19)20;/h2-11,16,22-23H,12-14H2,1H3;1H
InChIKeyORRFLLPKAAQENV-UHFFFAOYSA-N
MW434.95 g/mol
LogP3.81
Rot. Bonds6

About 4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride

4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride (PubChem CID 67156366) has the molecular formula C21H23ClN2O4S and a molecular weight of 434.95 g/mol. Its IUPAC name is 4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride
PubChem CID67156366
Molecular FormulaC21H23ClN2O4S
Molecular Weight434.95 g/mol
Exact Mass434.11
IUPAC Name4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(OC3CCNC3)c3ccccc23)cc1.Cl
InChIInChI=1S/C21H22N2O4S.ClH/c1-26-15-6-8-17(9-7-15)28(24,25)23-20-10-11-21(27-16-12-13-22-14-16)19-5-3-2-4-18(19)20;/h2-11,16,22-23H,12-14H2,1H3;1H
InChIKeyORRFLLPKAAQENV-UHFFFAOYSA-N
XLogP3.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]oxynaphthalen-1-yl]benzenesulfonamide;hydrochloride
CID 67157309
N-(2-methoxy-6-pyrrolidin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 66882820
N-methyl-4-pyrrolidin-3-yloxybenzenesulfonamide
CID 62348367
2-[(4-methoxyphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551446
4-methoxy-N-[4-[(4-methoxyphenyl)sulfonylmethyl]naphthalen-1-yl]benzenesulfonamide
CID 139559717
4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide
CID 118337075
4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964408
3-(2,3-dimethoxyphenoxy)pyrrolidine
CID 83536735
(3S)-3-(4-methoxy-2-nitrophenoxy)pyrrolidine
CID 115460380
(3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine
CID 86322342
tert-butyl 4-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]oxypiperidine-1-carboxylate
CID 91227843
4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride (CID 67156366) is 4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride is COc1ccc(S(=O)(=O)Nc2ccc(OC3CCNC3)c3ccccc23)cc1.Cl.
What is the InChIKey of 4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride?
The InChIKey is ORRFLLPKAAQENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S.ClH/c1-26-15-6-8-17(9-7-15)28(24,25)23-20-10-11-21(27-16-12-13-22-14-16)19-5-3-2-4-18(19)20;/h2-11,16,22-23H,12-14H2,1H3;1H.
What are the key properties of 4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride?
4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride has a molecular weight of 434.95 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 67156366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).