4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]oxynaphthalen-1-yl]benzenesulfonamide;hydrochloride

C20H20Cl2N2O3S — CID 67157309

IUPAC4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]oxynaphthalen-1-yl]benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc(O[C@H]2CCNC2)c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O3S.ClH/c21-14-5-7-16(8-6-14)27(24,25)23-19-9-10-20(26-15-11-12-22-13-15)18-4-2-1-3-17(18)19;/h1-10,15,22-23H,11-13H2;1H/t15-;/m0./s1
InChIKeyVXGYBWRZPALTEQ-RSAXXLAASA-N
MW439.36 g/mol
LogP4.46
Rot. Bonds5

About 4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]oxynaphthalen-1-yl]benzenesulfonamide;hydrochloride

4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]oxynaphthalen-1-yl]benzenesulfonamide;hydrochloride (PubChem CID 67157309) has the molecular formula C20H20Cl2N2O3S and a molecular weight of 439.36 g/mol. Its IUPAC name is 4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]oxynaphthalen-1-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]oxynaphthalen-1-yl]benzenesulfonamide;hydrochloride
PubChem CID67157309
Molecular FormulaC20H20Cl2N2O3S
Molecular Weight439.36 g/mol
Exact Mass438.06
IUPAC Name4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]oxynaphthalen-1-yl]benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc(O[C@H]2CCNC2)c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O3S.ClH/c21-14-5-7-16(8-6-14)27(24,25)23-19-9-10-20(26-15-11-12-22-13-15)18-4-2-1-3-17(18)19;/h1-10,15,22-23H,11-13H2;1H/t15-;/m0./s1
InChIKeyVXGYBWRZPALTEQ-RSAXXLAASA-N
XLogP4.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.36
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride
CID 67156366
tert-butyl 4-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]oxypiperidine-1-carboxylate
CID 91227843
3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride
CID 56830904
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine
CID 86322333
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
N-methyl-4-pyrrolidin-3-yloxybenzenesulfonamide
CID 62348367
4-(4-chloronaphthalen-1-yl)oxyazepane
CID 63904845
4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976932
3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine
CID 56830677
(3S)-3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine
CID 86322028
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 5259114

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]oxynaphthalen-1-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]oxynaphthalen-1-yl]benzenesulfonamide;hydrochloride (CID 67157309) is 4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]oxynaphthalen-1-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]oxynaphthalen-1-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]oxynaphthalen-1-yl]benzenesulfonamide;hydrochloride is Cl.O=S(=O)(Nc1ccc(O[C@H]2CCNC2)c2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]oxynaphthalen-1-yl]benzenesulfonamide;hydrochloride?
The InChIKey is VXGYBWRZPALTEQ-RSAXXLAASA-N. The full InChI is InChI=1S/C20H19ClN2O3S.ClH/c21-14-5-7-16(8-6-14)27(24,25)23-19-9-10-20(26-15-11-12-22-13-15)18-4-2-1-3-17(18)19;/h1-10,15,22-23H,11-13H2;1H/t15-;/m0./s1.
What are the key properties of 4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]oxynaphthalen-1-yl]benzenesulfonamide;hydrochloride?
4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]oxynaphthalen-1-yl]benzenesulfonamide;hydrochloride has a molecular weight of 439.36 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]oxynaphthalen-1-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 67157309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).