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

C15H21ClN2O3S — CID 120722741

IUPAC7-chloro-2-methyl-N-(4-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC1Cc2cc(S(=O)(=O)NC3CNCCC3C)cc(Cl)c2O1
InChIInChI=1S/C15H21ClN2O3S/c1-9-3-4-17-8-14(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
InChIKeyBYIXRTBCROQWRX-UHFFFAOYSA-N
MW344.86 g/mol
LogP1.94
Rot. Bonds3

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

7-chloro-2-methyl-N-(4-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 120722741) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 7-chloro-2-methyl-N-(4-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound Name7-chloro-2-methyl-N-(4-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID120722741
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name7-chloro-2-methyl-N-(4-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC1Cc2cc(S(=O)(=O)NC3CNCCC3C)cc(Cl)c2O1
InChIInChI=1S/C15H21ClN2O3S/c1-9-3-4-17-8-14(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
InChIKeyBYIXRTBCROQWRX-UHFFFAOYSA-N
XLogP1.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-methyl-N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 120724733
3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722990
7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119968788
1-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine;hydrochloride
CID 119961912
3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 55202262
N-(2-amino-2-methylpropyl)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 119988501
N-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 99236419
2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide
CID 120723047
3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725299
3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722663
3-fluoro-N-(4-methylpiperidin-3-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722763
ethyl 5-[(4-methylpiperidin-3-yl)sulfamoyl]-2,3-dihydro-1-benzofuran-2-carboxylate;hydrochloride
CID 120723211

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-N-(4-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of 7-chloro-2-methyl-N-(4-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 120722741) is 7-chloro-2-methyl-N-(4-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for 7-chloro-2-methyl-N-(4-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for 7-chloro-2-methyl-N-(4-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is CC1Cc2cc(S(=O)(=O)NC3CNCCC3C)cc(Cl)c2O1.
What is the InChIKey of 7-chloro-2-methyl-N-(4-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is BYIXRTBCROQWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-9-3-4-17-8-14(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.
What are the key properties of 7-chloro-2-methyl-N-(4-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
7-chloro-2-methyl-N-(4-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 344.86 g/mol, XLogP of 1.94, 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-(4-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 120722741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).