5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide

C11H8Br2Cl2N2O2S2 — CID 106088254

IUPAC5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2Cl)c(Br)s1
InChIInChI=1S/C11H8Br2Cl2N2O2S2/c12-6-1-2-7(10(15)9(6)14)17-21(18,19)8-3-5(4-16)20-11(8)13/h1-3,17H,4,16H2
InChIKeyNHCMNNTWWFNFIM-UHFFFAOYSA-N
MW495.05 g/mol
LogP4.84
Rot. Bonds4

About 5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide

5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide (PubChem CID 106088254) has the molecular formula C11H8Br2Cl2N2O2S2 and a molecular weight of 495.05 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide
PubChem CID106088254
Molecular FormulaC11H8Br2Cl2N2O2S2
Molecular Weight495.05 g/mol
Exact Mass491.78
IUPAC Name5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2Cl)c(Br)s1
InChIInChI=1S/C11H8Br2Cl2N2O2S2/c12-6-1-2-7(10(15)9(6)14)17-21(18,19)8-3-5(4-16)20-11(8)13/h1-3,17H,4,16H2
InChIKeyNHCMNNTWWFNFIM-UHFFFAOYSA-N
XLogP4.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.05
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide
CID 106073516
5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)thiophene-3-sulfonamide
CID 106030714
5-(aminomethyl)-2-bromo-N-(4-chlorophenyl)thiophene-3-sulfonamide
CID 106060874
5-(aminomethyl)-2-bromo-N-(2,4-dimethylphenyl)thiophene-3-sulfonamide
CID 106060392
5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030310
5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
CID 106002359
5-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-chlorothiophene-2-sulfonamide
CID 107792917
5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide
CID 106007333
5-(aminomethyl)-N-(2,4-dichlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106057468
2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide
CID 107792937
5-(aminomethyl)-N-(5-bromo-2-chlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106056715
5-(aminomethyl)-2-bromo-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086989

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide (CID 106088254) is 5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide is NCc1cc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2Cl)c(Br)s1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide?
The InChIKey is NHCMNNTWWFNFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2Cl2N2O2S2/c12-6-1-2-7(10(15)9(6)14)17-21(18,19)8-3-5(4-16)20-11(8)13/h1-3,17H,4,16H2.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide has a molecular weight of 495.05 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106088254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).