N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide

C14H17BrN2O2S2 — CID 106073390

IUPACN-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1ccc(CNC)s1
InChIInChI=1S/C14H17BrN2O2S2/c1-3-10-8-11(15)4-6-13(10)17-21(18,19)14-7-5-12(20-14)9-16-2/h4-8,16-17H,3,9H2,1-2H3
InChIKeyLDMMHDPYAIUFHS-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.59
Rot. Bonds6

About N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide

N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106073390) has the molecular formula C14H17BrN2O2S2 and a molecular weight of 389.34 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106073390
Molecular FormulaC14H17BrN2O2S2
Molecular Weight389.34 g/mol
Exact Mass387.99
IUPAC NameN-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1ccc(CNC)s1
InChIInChI=1S/C14H17BrN2O2S2/c1-3-10-8-11(15)4-6-13(10)17-21(18,19)14-7-5-12(20-14)9-16-2/h4-8,16-17H,3,9H2,1-2H3
InChIKeyLDMMHDPYAIUFHS-UHFFFAOYSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087386
N-(2,6-dimethyl-3-pyridinyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106071129
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
N-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106076709
N-(4-bromo-2-ethylphenyl)methanesulfonamide
CID 6469152
N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106090194
4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 81292299
5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide
CID 106002671
N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106061370
N-(4-bromo-2-ethylphenyl)-2-phenyl-1,3-thiazole-5-sulfonamide
CID 166357647
2-[5-[(4-bromo-2-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43237086
N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide
CID 80974925

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide (CID 106073390) is N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide is CCc1cc(Br)ccc1NS(=O)(=O)c1ccc(CNC)s1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is LDMMHDPYAIUFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S2/c1-3-10-8-11(15)4-6-13(10)17-21(18,19)14-7-5-12(20-14)9-16-2/h4-8,16-17H,3,9H2,1-2H3.
What are the key properties of N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide?
N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 389.34 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106073390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).