4-(aminomethyl)-2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide

C13H14BrClN2O2S2 — CID 106095152

IUPAC4-(aminomethyl)-2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCc2ccc(Cl)s2)c(Br)c1
InChIInChI=1S/C13H14BrClN2O2S2/c14-11-7-9(8-16)1-3-12(11)21(18,19)17-6-5-10-2-4-13(15)20-10/h1-4,7,17H,5-6,8,16H2
InChIKeyVILADPNODFXMJY-UHFFFAOYSA-N
MW409.76 g/mol
LogP3.14
Rot. Bonds6

About 4-(aminomethyl)-2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide

4-(aminomethyl)-2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide (PubChem CID 106095152) has the molecular formula C13H14BrClN2O2S2 and a molecular weight of 409.76 g/mol. Its IUPAC name is 4-(aminomethyl)-2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide
PubChem CID106095152
Molecular FormulaC13H14BrClN2O2S2
Molecular Weight409.76 g/mol
Exact Mass407.94
IUPAC Name4-(aminomethyl)-2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCc2ccc(Cl)s2)c(Br)c1
InChIInChI=1S/C13H14BrClN2O2S2/c14-11-7-9(8-16)1-3-12(11)21(18,19)17-6-5-10-2-4-13(15)20-10/h1-4,7,17H,5-6,8,16H2
InChIKeyVILADPNODFXMJY-UHFFFAOYSA-N
XLogP3.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.76
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 102704632
5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide
CID 106050572
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 113225799
4-(aminomethyl)-2-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 107975735
4-(aminomethyl)-2-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055573
5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide
CID 106034935
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106034900
4-(aminomethyl)-2-bromo-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide
CID 106091823
4-(aminomethyl)-2-bromo-N-[2-[butan-2-yl(methyl)amino]ethyl]benzenesulfonamide
CID 106094270
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106034931
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 106034891
2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide
CID 114139001

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide (CID 106095152) is 4-(aminomethyl)-2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide is NCc1ccc(S(=O)(=O)NCCc2ccc(Cl)s2)c(Br)c1.
What is the InChIKey of 4-(aminomethyl)-2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide?
The InChIKey is VILADPNODFXMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O2S2/c14-11-7-9(8-16)1-3-12(11)21(18,19)17-6-5-10-2-4-13(15)20-10/h1-4,7,17H,5-6,8,16H2.
What are the key properties of 4-(aminomethyl)-2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide?
4-(aminomethyl)-2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide has a molecular weight of 409.76 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106095152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).