N-methyl-4-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

C15H24ClN3O5S2 — CID 119978600

IUPACN-methyl-4-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.Cl
InChIInChI=1S/C15H23N3O5S2.ClH/c1-17(13-6-7-16-12-13)24(19,20)14-2-4-15(5-3-14)25(21,22)18-8-10-23-11-9-18;/h2-5,13,16H,6-12H2,1H3;1H
InChIKeyWMDXXMXDJBCIRF-UHFFFAOYSA-N
MW425.96 g/mol
LogP0.11
Rot. Bonds5

About N-methyl-4-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

N-methyl-4-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 119978600) has the molecular formula C15H24ClN3O5S2 and a molecular weight of 425.96 g/mol. Its IUPAC name is N-methyl-4-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID119978600
Molecular FormulaC15H24ClN3O5S2
Molecular Weight425.96 g/mol
Exact Mass425.08
IUPAC NameN-methyl-4-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.Cl
InChIInChI=1S/C15H23N3O5S2.ClH/c1-17(13-6-7-16-12-13)24(19,20)14-2-4-15(5-3-14)25(21,22)18-8-10-23-11-9-18;/h2-5,13,16H,6-12H2,1H3;1H
InChIKeyWMDXXMXDJBCIRF-UHFFFAOYSA-N
XLogP0.11
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120875073
N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55136438
N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 631492
4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride
CID 119981794
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210
2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978751
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-methyl-4-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (CID 119978600) is N-methyl-4-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-methyl-4-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-methyl-4-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is CN(C1CCNC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.Cl.
What is the InChIKey of N-methyl-4-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is WMDXXMXDJBCIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S2.ClH/c1-17(13-6-7-16-12-13)24(19,20)14-2-4-15(5-3-14)25(21,22)18-8-10-23-11-9-18;/h2-5,13,16H,6-12H2,1H3;1H.
What are the key properties of N-methyl-4-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
N-methyl-4-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 425.96 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119978600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).