5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide

C11H11BrN2O2S2 — CID 106061159

IUPAC5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ccccc2Br)cs1
InChIInChI=1S/C11H11BrN2O2S2/c12-10-3-1-2-4-11(10)14-18(15,16)9-5-8(6-13)17-7-9/h1-5,7,14H,6,13H2
InChIKeyMDSBIUCMSMZXCX-UHFFFAOYSA-N
MW347.26 g/mol
LogP2.77
Rot. Bonds4

About 5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide

5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide (PubChem CID 106061159) has the molecular formula C11H11BrN2O2S2 and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide
PubChem CID106061159
Molecular FormulaC11H11BrN2O2S2
Molecular Weight347.26 g/mol
Exact Mass345.94
IUPAC Name5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ccccc2Br)cs1
InChIInChI=1S/C11H11BrN2O2S2/c12-10-3-1-2-4-11(10)14-18(15,16)9-5-8(6-13)17-7-9/h1-5,7,14H,6,13H2
InChIKeyMDSBIUCMSMZXCX-UHFFFAOYSA-N
XLogP2.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030161
5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide
CID 106057499
5-(aminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide
CID 106082397
5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
CID 106001955
5-(aminomethyl)-N-(4-bromo-5-fluoro-2-methylphenyl)thiophene-3-sulfonamide
CID 106083113
5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide
CID 106058021
5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide
CID 106067006
5-(aminomethyl)-N-(2,5-difluoro-4-methylphenyl)thiophene-3-sulfonamide
CID 106087283
5-(aminomethyl)-N-pyridazin-3-ylthiophene-3-sulfonamide
CID 106084044
5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide
CID 106058867
N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106075947
5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide
CID 106057752

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide (CID 106061159) is 5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide is NCc1cc(S(=O)(=O)Nc2ccccc2Br)cs1.
What is the InChIKey of 5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide?
The InChIKey is MDSBIUCMSMZXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S2/c12-10-3-1-2-4-11(10)14-18(15,16)9-5-8(6-13)17-7-9/h1-5,7,14H,6,13H2.
What are the key properties of 5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide?
5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide has a molecular weight of 347.26 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106061159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).