3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide

C14H17ClN2O3S — CID 107091695

IUPAC3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCc2ccoc2)cc1Cl
InChIInChI=1S/C14H17ClN2O3S/c1-2-16-9-12-3-4-13(7-14(12)15)21(18,19)17-8-11-5-6-20-10-11/h3-7,10,16-17H,2,8-9H2,1H3
InChIKeyCLDLYNQAGKQRID-UHFFFAOYSA-N
MW328.82 g/mol
LogP2.52
Rot. Bonds7

About 3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide

3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide (PubChem CID 107091695) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide
PubChem CID107091695
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCc2ccoc2)cc1Cl
InChIInChI=1S/C14H17ClN2O3S/c1-2-16-9-12-3-4-13(7-14(12)15)21(18,19)17-8-11-5-6-20-10-11/h3-7,10,16-17H,2,8-9H2,1H3
InChIKeyCLDLYNQAGKQRID-UHFFFAOYSA-N
XLogP2.52
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-chloro-4-(ethylaminomethyl)benzenesulfonamide
CID 107091310
3-chloro-4-(ethylaminomethyl)-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 106077984
3-chloro-4-(ethylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 107091503
3-chloro-4-(ethylaminomethyl)-N-piperidin-1-ylbenzenesulfonamide
CID 106075428
3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 107091649
3-chloro-N,4-diethylbenzenesulfonamide
CID 165445797
3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide
CID 107090660
4-(2-chloroethyl)-N-(furan-3-ylmethyl)benzenesulfonamide
CID 115588808
N-(furan-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 47204540
3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide
CID 47204563
3-chloro-4-(ethylaminomethyl)-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 106083430
3-chloro-4-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018256

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide (CID 107091695) is 3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide is CCNCc1ccc(S(=O)(=O)NCc2ccoc2)cc1Cl.
What is the InChIKey of 3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide?
The InChIKey is CLDLYNQAGKQRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c1-2-16-9-12-3-4-13(7-14(12)15)21(18,19)17-8-11-5-6-20-10-11/h3-7,10,16-17H,2,8-9H2,1H3.
What are the key properties of 3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide?
3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide has a molecular weight of 328.82 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 107091695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).