N,2-dimethyl-N-pyrrolidin-3-yl-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride

C14H21ClN2O3S — CID 119978923

IUPACN,2-dimethyl-N-pyrrolidin-3-yl-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
SMILESCC1Cc2cc(S(=O)(=O)N(C)C3CCNC3)ccc2O1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-10-7-11-8-13(3-4-14(11)19-10)20(17,18)16(2)12-5-6-15-9-12;/h3-4,8,10,12,15H,5-7,9H2,1-2H3;1H
InChIKeyJRYOZCZJTJEPPH-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.41
Rot. Bonds3

About N,2-dimethyl-N-pyrrolidin-3-yl-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride

N,2-dimethyl-N-pyrrolidin-3-yl-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride (PubChem CID 119978923) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N,2-dimethyl-N-pyrrolidin-3-yl-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN,2-dimethyl-N-pyrrolidin-3-yl-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
PubChem CID119978923
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN,2-dimethyl-N-pyrrolidin-3-yl-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
SMILESCC1Cc2cc(S(=O)(=O)N(C)C3CCNC3)ccc2O1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-10-7-11-8-13(3-4-14(11)19-10)20(17,18)16(2)12-5-6-15-9-12;/h3-4,8,10,12,15H,5-7,9H2,1-2H3;1H
InChIKeyJRYOZCZJTJEPPH-UHFFFAOYSA-N
XLogP1.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978960
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
2-methyl-N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 119977213
2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride
CID 165460112
6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride
CID 120709882
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
N,3-dimethyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119979065
4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120875073
N-methyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-quinazoline-6-sulfonamide
CID 119978822
N-[3-hydroxy-2-(hydroxymethyl)propyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 139017544

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-pyrrolidin-3-yl-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride?
The IUPAC name of N,2-dimethyl-N-pyrrolidin-3-yl-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride (CID 119978923) is N,2-dimethyl-N-pyrrolidin-3-yl-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride.
What is the SMILES notation for N,2-dimethyl-N-pyrrolidin-3-yl-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride?
The canonical SMILES for N,2-dimethyl-N-pyrrolidin-3-yl-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride is CC1Cc2cc(S(=O)(=O)N(C)C3CCNC3)ccc2O1.Cl.
What is the InChIKey of N,2-dimethyl-N-pyrrolidin-3-yl-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride?
The InChIKey is JRYOZCZJTJEPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S.ClH/c1-10-7-11-8-13(3-4-14(11)19-10)20(17,18)16(2)12-5-6-15-9-12;/h3-4,8,10,12,15H,5-7,9H2,1-2H3;1H.
What are the key properties of N,2-dimethyl-N-pyrrolidin-3-yl-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride?
N,2-dimethyl-N-pyrrolidin-3-yl-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride has a molecular weight of 332.85 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-pyrrolidin-3-yl-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride is sourced from PubChem (CID 119978923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).