7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride

C15H22Cl2N2O3S — CID 119968788

IUPAC7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
SMILESCC1Cc2cc(S(=O)(=O)NCC3CCCNC3)cc(Cl)c2O1.Cl
InChIInChI=1S/C15H21ClN2O3S.ClH/c1-10-5-12-6-13(7-14(16)15(12)21-10)22(19,20)18-9-11-3-2-4-17-8-11;/h6-7,10-11,17-18H,2-5,8-9H2,1H3;1H
InChIKeyHAYLPOBDIBPBHI-UHFFFAOYSA-N
MW381.33 g/mol
LogP2.36
Rot. Bonds4

About 7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride

7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride (PubChem CID 119968788) has the molecular formula C15H22Cl2N2O3S and a molecular weight of 381.33 g/mol. Its IUPAC name is 7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
PubChem CID119968788
Molecular FormulaC15H22Cl2N2O3S
Molecular Weight381.33 g/mol
Exact Mass380.07
IUPAC Name7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
SMILESCC1Cc2cc(S(=O)(=O)NCC3CCCNC3)cc(Cl)c2O1.Cl
InChIInChI=1S/C15H21ClN2O3S.ClH/c1-10-5-12-6-13(7-14(16)15(12)21-10)22(19,20)18-9-11-3-2-4-17-8-11;/h6-7,10-11,17-18H,2-5,8-9H2,1H3;1H
InChIKeyHAYLPOBDIBPBHI-UHFFFAOYSA-N
XLogP2.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride with MolForge

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Related Compounds

3-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117418923
7-chloro-2-methyl-N-(4-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 120722741
N-(2-amino-2-methylpropyl)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 119988501
(2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129327879
7-chloro-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 128995589
4-chloro-3-cyano-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968407
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
1-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine;hydrochloride
CID 119961912
3-bromo-5-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 120707868
5-bromo-2-chloro-N-[[(3S)-piperidin-3-yl]methyl]benzenesulfonamide
CID 124698506
5-bromo-2-chloro-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968718
4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride?
The IUPAC name of 7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride (CID 119968788) is 7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride.
What is the SMILES notation for 7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride?
The canonical SMILES for 7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride is CC1Cc2cc(S(=O)(=O)NCC3CCCNC3)cc(Cl)c2O1.Cl.
What is the InChIKey of 7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride?
The InChIKey is HAYLPOBDIBPBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S.ClH/c1-10-5-12-6-13(7-14(16)15(12)21-10)22(19,20)18-9-11-3-2-4-17-8-11;/h6-7,10-11,17-18H,2-5,8-9H2,1H3;1H.
What are the key properties of 7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride?
7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride has a molecular weight of 381.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride is sourced from PubChem (CID 119968788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).