7-chloro-2-methyl-N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride

C15H22Cl2N2O3S — CID 120724733

IUPAC7-chloro-2-methyl-N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
SMILESCC1Cc2cc(S(=O)(=O)NC3CCNCC3C)cc(Cl)c2O1.Cl
InChIInChI=1S/C15H21ClN2O3S.ClH/c1-9-8-17-4-3-14(9)18-22(19,20)12-6-11-5-10(2)21-15(11)13(16)7-12;/h6-7,9-10,14,17-18H,3-5,8H2,1-2H3;1H
InChIKeyWTVHNKLOOZDWKZ-UHFFFAOYSA-N
MW381.33 g/mol
LogP2.36
Rot. Bonds3

About 7-chloro-2-methyl-N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride

7-chloro-2-methyl-N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride (PubChem CID 120724733) has the molecular formula C15H22Cl2N2O3S and a molecular weight of 381.33 g/mol. Its IUPAC name is 7-chloro-2-methyl-N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name7-chloro-2-methyl-N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
PubChem CID120724733
Molecular FormulaC15H22Cl2N2O3S
Molecular Weight381.33 g/mol
Exact Mass380.07
IUPAC Name7-chloro-2-methyl-N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
SMILESCC1Cc2cc(S(=O)(=O)NC3CCNCC3C)cc(Cl)c2O1.Cl
InChIInChI=1S/C15H21ClN2O3S.ClH/c1-9-8-17-4-3-14(9)18-22(19,20)12-6-11-5-10(2)21-15(11)13(16)7-12;/h6-7,9-10,14,17-18H,3-5,8H2,1-2H3;1H
InChIKeyWTVHNKLOOZDWKZ-UHFFFAOYSA-N
XLogP2.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-2-methyl-N-(4-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 120722741
7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119968788
3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725299
1-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine;hydrochloride
CID 119961912
methyl 2-chloro-4-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate
CID 120724810
5-chloro-N-(3-methylpiperidin-4-yl)pyridine-3-sulfonamide
CID 120725117
4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725107
3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722990
N-(2-amino-2-methylpropyl)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 119988501
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725276
2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724939
N-[(3R,4S)-3-methylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 124516960

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride?
The IUPAC name of 7-chloro-2-methyl-N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride (CID 120724733) is 7-chloro-2-methyl-N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride.
What is the SMILES notation for 7-chloro-2-methyl-N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride?
The canonical SMILES for 7-chloro-2-methyl-N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride is CC1Cc2cc(S(=O)(=O)NC3CCNCC3C)cc(Cl)c2O1.Cl.
What is the InChIKey of 7-chloro-2-methyl-N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride?
The InChIKey is WTVHNKLOOZDWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S.ClH/c1-9-8-17-4-3-14(9)18-22(19,20)12-6-11-5-10(2)21-15(11)13(16)7-12;/h6-7,9-10,14,17-18H,3-5,8H2,1-2H3;1H.
What are the key properties of 7-chloro-2-methyl-N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride?
7-chloro-2-methyl-N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride has a molecular weight of 381.33 g/mol, XLogP of 2.36, 3 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-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120724733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).