N-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide

C13H15BrN2O3S2 — CID 106076709

IUPACN-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2cc(Br)cc(OC)c2)s1
InChIInChI=1S/C13H15BrN2O3S2/c1-15-8-12-3-4-13(20-12)21(17,18)16-10-5-9(14)6-11(7-10)19-2/h3-7,15-16H,8H2,1-2H3
InChIKeyPMZLBVRDSKOEQV-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.04
Rot. Bonds6

About N-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide

N-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106076709) has the molecular formula C13H15BrN2O3S2 and a molecular weight of 391.31 g/mol. Its IUPAC name is N-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106076709
Molecular FormulaC13H15BrN2O3S2
Molecular Weight391.31 g/mol
Exact Mass389.97
IUPAC NameN-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2cc(Br)cc(OC)c2)s1
InChIInChI=1S/C13H15BrN2O3S2/c1-15-8-12-3-4-13(20-12)21(17,18)16-10-5-9(14)6-11(7-10)19-2/h3-7,15-16H,8H2,1-2H3
InChIKeyPMZLBVRDSKOEQV-UHFFFAOYSA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106090194
N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106073390
N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 18191077
2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
CID 82860132
N-(3-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106029311
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide
CID 106002671
4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
CID 82859753
N-(3-bromo-5-methoxyphenyl)-1-cyanomethanesulfonamide
CID 82867498
N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106061370
4-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbenzenesulfonamide
CID 82859346
N-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide
CID 135348293

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide (CID 106076709) is N-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1ccc(S(=O)(=O)Nc2cc(Br)cc(OC)c2)s1.
What is the InChIKey of N-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is PMZLBVRDSKOEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3S2/c1-15-8-12-3-4-13(20-12)21(17,18)16-10-5-9(14)6-11(7-10)19-2/h3-7,15-16H,8H2,1-2H3.
What are the key properties of N-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide?
N-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 391.31 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106076709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).