4-(ethylaminomethyl)-2-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide

C15H25FN2O2S — CID 106028813

IUPAC4-(ethylaminomethyl)-2-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC(C)CC(C)C)c(F)c1
InChIInChI=1S/C15H25FN2O2S/c1-5-17-10-13-6-7-15(14(16)9-13)21(19,20)18-12(4)8-11(2)3/h6-7,9,11-12,17-18H,5,8,10H2,1-4H3
InChIKeyJCQKJEFMEFVSMW-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.65
Rot. Bonds8

About 4-(ethylaminomethyl)-2-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide

4-(ethylaminomethyl)-2-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide (PubChem CID 106028813) has the molecular formula C15H25FN2O2S and a molecular weight of 316.44 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide
PubChem CID106028813
Molecular FormulaC15H25FN2O2S
Molecular Weight316.44 g/mol
Exact Mass316.16
IUPAC Name4-(ethylaminomethyl)-2-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC(C)CC(C)C)c(F)c1
InChIInChI=1S/C15H25FN2O2S/c1-5-17-10-13-6-7-15(14(16)9-13)21(19,20)18-12(4)8-11(2)3/h6-7,9,11-12,17-18H,5,8,10H2,1-4H3
InChIKeyJCQKJEFMEFVSMW-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide
CID 79190650
4-(ethylaminomethyl)-2-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077617
4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide
CID 106046618
4-(ethylaminomethyl)-2-fluoro-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082337
4-(ethylaminomethyl)-2-fluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 106080734
4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide
CID 114140395
4-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 106083339
2-ethyl-5-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079789
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
2-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79190978
2-fluoro-4-(hydroxymethyl)-N-pentan-3-ylbenzenesulfonamide
CID 114132231
4-bromo-2-fluoro-N-(4-methylhexan-2-yl)benzenesulfonamide
CID 116528688

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-2-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide (CID 106028813) is 4-(ethylaminomethyl)-2-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-2-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-2-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide is CCNCc1ccc(S(=O)(=O)NC(C)CC(C)C)c(F)c1.
What is the InChIKey of 4-(ethylaminomethyl)-2-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is JCQKJEFMEFVSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2S/c1-5-17-10-13-6-7-15(14(16)9-13)21(19,20)18-12(4)8-11(2)3/h6-7,9,11-12,17-18H,5,8,10H2,1-4H3.
What are the key properties of 4-(ethylaminomethyl)-2-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide?
4-(ethylaminomethyl)-2-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 316.44 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-2-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106028813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).