4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide

C14H17FN2O2S2 — CID 106018431

IUPAC4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)Nc2cccc(F)c2C)c1
InChIInChI=1S/C14H17FN2O2S2/c1-3-16-8-11-7-14(20-9-11)21(18,19)17-13-6-4-5-12(15)10(13)2/h4-7,9,16-17H,3,8H2,1-2H3
InChIKeyQPJMRSMBSUAEAQ-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.11
Rot. Bonds6

About 4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide

4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide (PubChem CID 106018431) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide
PubChem CID106018431
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC Name4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)Nc2cccc(F)c2C)c1
InChIInChI=1S/C14H17FN2O2S2/c1-3-16-8-11-7-14(20-9-11)21(18,19)17-13-6-4-5-12(15)10(13)2/h4-7,9,16-17H,3,8H2,1-2H3
InChIKeyQPJMRSMBSUAEAQ-UHFFFAOYSA-N
XLogP3.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106060359
4-(ethylaminomethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 106070490
N-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106067102
5-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 106018447
4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide
CID 106017490
N-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106076005
N-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106061246
4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074851
N-(3-bromo-2-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106062188
4-(ethylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106051103
5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79933429
4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide
CID 79356541

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide (CID 106018431) is 4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide is CCNCc1csc(S(=O)(=O)Nc2cccc(F)c2C)c1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is QPJMRSMBSUAEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c1-3-16-8-11-7-14(20-9-11)21(18,19)17-13-6-4-5-12(15)10(13)2/h4-7,9,16-17H,3,8H2,1-2H3.
What are the key properties of 4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide?
4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 328.43 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106018431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).