5-chloro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]thiophene-2-sulfonamide

C13H14ClNO4S2 — CID 134161161

IUPAC5-chloro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1(O)CCCc2occc21)c1ccc(Cl)s1
InChIInChI=1S/C13H14ClNO4S2/c14-11-3-4-12(20-11)21(17,18)15-8-13(16)6-1-2-10-9(13)5-7-19-10/h3-5,7,15-16H,1-2,6,8H2
InChIKeyKKFOLXRSJYKUGQ-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.50
Rot. Bonds4

About 5-chloro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]thiophene-2-sulfonamide

5-chloro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 134161161) has the molecular formula C13H14ClNO4S2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 5-chloro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID134161161
Molecular FormulaC13H14ClNO4S2
Molecular Weight347.85 g/mol
Exact Mass347.01
IUPAC Name5-chloro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1(O)CCCc2occc21)c1ccc(Cl)s1
InChIInChI=1S/C13H14ClNO4S2/c14-11-3-4-12(20-11)21(17,18)15-8-13(16)6-1-2-10-9(13)5-7-19-10/h3-5,7,15-16H,1-2,6,8H2
InChIKeyKKFOLXRSJYKUGQ-UHFFFAOYSA-N
XLogP2.50
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]thiophene-2-sulfonamide with MolForge

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Related Compounds

N-[[(4S)-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl]methyl]-2-methylpropane-1-sulfonamide
CID 164637057
N-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride
CID 119998693
N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide
CID 134161530
4-(3-ethylsulfonylpropyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 113315337
N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 134160606
5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide
CID 121179141
4-(cyclohexylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115466959
5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide
CID 30944322
5-chloro-N-[1-[3-(hydroxymethyl)but-3-enyl]cyclohexyl]thiophene-2-sulfonamide
CID 66930235
5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)thiophene-2-sulfonamide
CID 18583969
5-chloro-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 6470902
N'-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 134161806

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]thiophene-2-sulfonamide (CID 134161161) is 5-chloro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCC1(O)CCCc2occc21)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is KKFOLXRSJYKUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4S2/c14-11-3-4-12(20-11)21(17,18)15-8-13(16)6-1-2-10-9(13)5-7-19-10/h3-5,7,15-16H,1-2,6,8H2.
What are the key properties of 5-chloro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]thiophene-2-sulfonamide?
5-chloro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 347.85 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 134161161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).