N-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide

C14H14N2O3S2 — CID 106003729

IUPACN-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2ccc3sccc3c2)o1
InChIInChI=1S/C14H14N2O3S2/c1-15-9-12-3-5-14(19-12)21(17,18)16-11-2-4-13-10(8-11)6-7-20-13/h2-8,15-16H,9H2,1H3
InChIKeyBYPWZKHSAXIMLY-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.01
Rot. Bonds5

About N-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide

N-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide (PubChem CID 106003729) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide
PubChem CID106003729
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC NameN-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2ccc3sccc3c2)o1
InChIInChI=1S/C14H14N2O3S2/c1-15-9-12-3-5-14(19-12)21(17,18)16-11-2-4-13-10(8-11)6-7-20-13/h2-8,15-16H,9H2,1H3
InChIKeyBYPWZKHSAXIMLY-UHFFFAOYSA-N
XLogP3.01
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087765
5-(methylaminomethyl)-N-thiophen-3-ylfuran-2-sulfonamide
CID 106070081
4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide
CID 65475795
N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide
CID 55476960
N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087933
5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide
CID 106081269
N-(1-benzothiophen-5-yl)propane-1-sulfonamide
CID 60705280
N-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106070960
N-(1-benzothiophen-5-yl)-3-(methylamino)pyridine-2-sulfonamide
CID 103306326
N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106031076
N-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087052
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106053376

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide (CID 106003729) is N-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide is CNCc1ccc(S(=O)(=O)Nc2ccc3sccc3c2)o1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide?
The InChIKey is BYPWZKHSAXIMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-15-9-12-3-5-14(19-12)21(17,18)16-11-2-4-13-10(8-11)6-7-20-13/h2-8,15-16H,9H2,1H3.
What are the key properties of N-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide?
N-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide has a molecular weight of 322.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide is sourced from PubChem (CID 106003729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).